methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol

C35H73N3O2 — CID 163970751

IUPACmethane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol
SMILESC.CC(C)C1CCCC1.CC(C)N1CCC2OCCC21.CC(C)N1CCCCC1.CC(C)N1CCCCC1CO
InChIInChI=1S/C9H17NO.C9H19NO.C8H17N.C8H16.CH4/c1-7(2)10-5-3-9-8(10)4-6-11-9;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h7-9H,3-6H2,1-2H3;8-9,11H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;1H4
InChIKeySPUHRVUEUPFCAX-UHFFFAOYSA-N
MW567.99 g/mol
LogP7.85
Rot. Bonds5

About methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol

methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol (PubChem CID 163970751) has the molecular formula C35H73N3O2 and a molecular weight of 567.99 g/mol. Its IUPAC name is methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol.

Molecular Properties

Compound Namemethane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol
PubChem CID163970751
Molecular FormulaC35H73N3O2
Molecular Weight567.99 g/mol
Exact Mass567.57
IUPAC Namemethane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol
SMILESC.CC(C)C1CCCC1.CC(C)N1CCC2OCCC21.CC(C)N1CCCCC1.CC(C)N1CCCCC1CO
InChIInChI=1S/C9H17NO.C9H19NO.C8H17N.C8H16.CH4/c1-7(2)10-5-3-9-8(10)4-6-11-9;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h7-9H,3-6H2,1-2H3;8-9,11H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;1H4
InChIKeySPUHRVUEUPFCAX-UHFFFAOYSA-N
XLogP7.85
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.99
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol 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

3-methoxy-1-propan-2-ylpyrrolidine;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;1-propan-2-ylazepane;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;(4-propan-2-ylmorpholin-3-yl)methanol;3-propan-2-yloxolane;1-propan-2-ylpiperidine
CID 158578107
ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239
methane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);2-propan-2-yloxane;2-propan-2-yloxolane;tris(1-propan-2-ylpiperidine)
CID 167539935
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
CID 161339699
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
1,2-di(propan-2-yl)azocane
CID 134605032
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 61407625
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
1-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]cyclohexan-1-ol
CID 115073810

Frequently Asked Questions

What is the IUPAC name of methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol?
The IUPAC name of methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol (CID 163970751) is methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol.
What is the SMILES notation for methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol?
The canonical SMILES for methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol is C.CC(C)C1CCCC1.CC(C)N1CCC2OCCC21.CC(C)N1CCCCC1.CC(C)N1CCCCC1CO.
What is the InChIKey of methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol?
The InChIKey is SPUHRVUEUPFCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C9H19NO.C8H17N.C8H16.CH4/c1-7(2)10-5-3-9-8(10)4-6-11-9;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h7-9H,3-6H2,1-2H3;8-9,11H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;1H4.
What are the key properties of methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol?
methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol has a molecular weight of 567.99 g/mol, XLogP of 7.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol is sourced from PubChem (CID 163970751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).