ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane

C162H377N5O3 — CID 158974613

IUPACethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C)CC1.CC(C)C1(C)CCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CC(C)C1(C)CCCCN1.CC(C)C1(C)CCCCO1.CC(C)C1(C)CCCN1.CC(C)C1(C)CCCNC1.CC(C)C1(C)CCCO1.CC(C)C1(C)CCNC1.CC(C)C1(C)CCNCC1.CC(C)C1(C)CCOC1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/C10H20.3C9H19N.C9H18O.C9H18.2C8H17N.2C8H16O.C8H16.C7H14.12C3H8.12C2H6/c1-9(2)10(3)7-5-4-6-8-10;1-8(2)9(3)4-6-10-7-5-9;1-8(2)9(3)5-4-6-10-7-9;2*1-8(2)9(3)6-4-5-7-10-9;1-8(2)9(3)6-4-5-7-9;1-7(2)8(3)4-5-9-6-8;1-7(2)8(3)5-4-6-9-8;1-7(2)8(3)4-5-9-6-8;1-7(2)8(3)5-4-6-9-8;1-7(2)8(3)5-4-6-8;1-6(2)7(3)4-5-7;12*1-3-2;12*1-2/h9H,4-8H2,1-3H3;3*8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;12*3H2,1-2H3;12*1-2H3
InChIKeyJOFRLUHUQRLDEE-UHFFFAOYSA-N
MW2443.83 g/mol
LogP57.97
Rot. Bonds12

About ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane

ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane (PubChem CID 158974613) has the molecular formula C162H377N5O3 and a molecular weight of 2443.83 g/mol. Its IUPAC name is ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane.

Molecular Properties

Compound Nameethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane
PubChem CID158974613
Molecular FormulaC162H377N5O3
Molecular Weight2443.83 g/mol
Exact Mass2441.95
IUPAC Nameethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C)CC1.CC(C)C1(C)CCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CC(C)C1(C)CCCCN1.CC(C)C1(C)CCCCO1.CC(C)C1(C)CCCN1.CC(C)C1(C)CCCNC1.CC(C)C1(C)CCCO1.CC(C)C1(C)CCNC1.CC(C)C1(C)CCNCC1.CC(C)C1(C)CCOC1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/C10H20.3C9H19N.C9H18O.C9H18.2C8H17N.2C8H16O.C8H16.C7H14.12C3H8.12C2H6/c1-9(2)10(3)7-5-4-6-8-10;1-8(2)9(3)4-6-10-7-5-9;1-8(2)9(3)5-4-6-10-7-9;2*1-8(2)9(3)6-4-5-7-10-9;1-8(2)9(3)6-4-5-7-9;1-7(2)8(3)4-5-9-6-8;1-7(2)8(3)5-4-6-9-8;1-7(2)8(3)4-5-9-6-8;1-7(2)8(3)5-4-6-9-8;1-7(2)8(3)5-4-6-8;1-6(2)7(3)4-5-7;12*1-3-2;12*1-2/h9H,4-8H2,1-3H3;3*8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;12*3H2,1-2H3;12*1-2H3
InChIKeyJOFRLUHUQRLDEE-UHFFFAOYSA-N
XLogP57.97
TPSA87.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002443.83
LogP ≤ 557.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methyl-4-propan-2-ylazepane
CID 164876609
2-methyl-2-propan-2-yl-1,4-oxazepane
CID 114494521
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
4,4-di(propan-2-yl)azepane;2,2-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxane;4,4-di(propan-2-yl)oxane;2,2-di(propan-2-yl)piperidine;3,3-di(propan-2-yl)piperidine;2,2-di(propan-2-yl)thiane;3,3-di(propan-2-yl)thiane;4,4-di(propan-2-yl)thiane;ethane
CID 159996295
2-oxa-8-azaspiro[4.5]decane;propane
CID 143531697
2,2-di(propan-2-yl)azepane;3,3-di(propan-2-yl)azepane;4,4-di(propan-2-yl)azepane;2,2-di(propan-2-yl)thiane;3,3-di(propan-2-yl)thiane;4,4-di(propan-2-yl)thiane;propane
CID 158089474
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
2-ethyl-2-propan-2-ylazepane
CID 79117006
N,N-diethyl-3-methylpiperidin-3-amine
CID 165442346
12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 142531209
morpholine;piperidine;propane
CID 144636316
3-methyl-3-propan-2-yl-4-oxa-1-azaspiro[5.5]undecane
CID 114494533

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane?
The IUPAC name of ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane (CID 158974613) is ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane.
What is the SMILES notation for ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane?
The canonical SMILES for ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C)CC1.CC(C)C1(C)CCC1.CC(C)C1(C)CCCC1.CC(C)C1(C)CCCCC1.CC(C)C1(C)CCCCN1.CC(C)C1(C)CCCCO1.CC(C)C1(C)CCCN1.CC(C)C1(C)CCCNC1.CC(C)C1(C)CCCO1.CC(C)C1(C)CCNC1.CC(C)C1(C)CCNCC1.CC(C)C1(C)CCOC1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane?
The InChIKey is JOFRLUHUQRLDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.3C9H19N.C9H18O.C9H18.2C8H17N.2C8H16O.C8H16.C7H14.12C3H8.12C2H6/c1-9(2)10(3)7-5-4-6-8-10;1-8(2)9(3)4-6-10-7-5-9;1-8(2)9(3)5-4-6-10-7-9;2*1-8(2)9(3)6-4-5-7-10-9;1-8(2)9(3)6-4-5-7-9;1-7(2)8(3)4-5-9-6-8;1-7(2)8(3)5-4-6-9-8;1-7(2)8(3)4-5-9-6-8;1-7(2)8(3)5-4-6-9-8;1-7(2)8(3)5-4-6-8;1-6(2)7(3)4-5-7;12*1-3-2;12*1-2/h9H,4-8H2,1-3H3;3*8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;2*7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;12*3H2,1-2H3;12*1-2H3.
What are the key properties of ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane?
ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane has a molecular weight of 2443.83 g/mol, XLogP of 57.97, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-1-propan-2-ylcyclobutane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane;1-methyl-1-propan-2-ylcyclopropane;2-methyl-2-propan-2-yloxane;2-methyl-2-propan-2-yloxolane;3-methyl-3-propan-2-yloxolane;2-methyl-2-propan-2-ylpiperidine;3-methyl-3-propan-2-ylpiperidine;4-methyl-4-propan-2-ylpiperidine;2-methyl-2-propan-2-ylpyrrolidine;3-methyl-3-propan-2-ylpyrrolidine;propane is sourced from PubChem (CID 158974613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).