ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

C40H101N5 — CID 160881831

IUPACethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
SMILESC.C.C.C.CC.CC.CC.CC.CC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C7H16N2.3C7H15N.4C2H6.4CH4/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;4*1-2;;;;/h7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;4*1-2H3;4*1H4
InChIKeySNDDFUPHPCQDSL-UHFFFAOYSA-N
MW652.28 g/mol
LogP11.09
Rot. Bonds4

About ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine

ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (PubChem CID 160881831) has the molecular formula C40H101N5 and a molecular weight of 652.28 g/mol. Its IUPAC name is ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
PubChem CID160881831
Molecular FormulaC40H101N5
Molecular Weight652.28 g/mol
Exact Mass651.81
IUPAC Nameethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
SMILESC.C.C.C.CC.CC.CC.CC.CC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C7H16N2.3C7H15N.4C2H6.4CH4/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;4*1-2;;;;/h7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;4*1-2H3;4*1H4
InChIKeySNDDFUPHPCQDSL-UHFFFAOYSA-N
XLogP11.09
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.28
LogP ≤ 511.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
CID 22291204
2-Ethyl-4-(1-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-3-yl)-9-propan-2-yl-2,9-diazaspiro[4.5]decane
CID 129100664
N-[(1-methylpiperidin-4-yl)methyl]-1-[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]propan-2-amine
CID 129168724
(2R,3R)-3-methyl-2-propan-2-yl-1-[2-[(2S,3S)-2-propan-2-yl-1-[2-[(2R,3S)-2-propan-2-ylpyrrolidin-3-yl]ethyl]pyrrolidin-3-yl]ethyl]pyrrolidine
CID 134332136
ethane;4-(pyrrolidin-1-ylmethyl)piperidine;(3S)-N,N,1-trimethylpyrrolidin-3-amine;(3R)-N,N,1-trimethylpyrrolidin-3-amine
CID 143999063
butane;ethane;2-N-ethyl-1-N,1-N-dimethylbutane-1,2-diamine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methylbutane;1-methyl-3-pyrrolidin-1-ylpyrrolidine
CID 144982784
Ethane;1-propan-2-ylimidazolidine;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine
CID 157119922
1-Propan-2-ylimidazolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
CID 157413036
Ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-propan-2-ylpyrrolidine
CID 157497736
N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157642277
1-Propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine
CID 158026828
Ethane;1-propan-2-ylpiperazine;bis(1-propan-2-ylpyrrolidine);3-propan-2-ylpyrrolidine
CID 158186733

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The IUPAC name of ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine (CID 160881831) is ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is C.C.C.C.CC.CC.CC.CC.CC(C)C1CCCN1.CC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCNCC1.
What is the InChIKey of ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
The InChIKey is SNDDFUPHPCQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.3C7H15N.4C2H6.4CH4/c1-7(2)9-5-3-8-4-6-9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;4*1-2;;;;/h7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;4*1-2H3;4*1H4.
What are the key properties of ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine?
ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine has a molecular weight of 652.28 g/mol, XLogP of 11.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 160881831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).