2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile

C17H29N3 — CID 79573800

IUPAC2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
SMILESCN(CCC1CCCC1(C#N)NC1CC1)CC1CCC1
InChIInChI=1S/C17H29N3/c1-20(12-14-4-2-5-14)11-9-15-6-3-10-17(15,13-18)19-16-7-8-16/h14-16,19H,2-12H2,1H3
InChIKeyLGWRULZJEXLFGC-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.92
Rot. Bonds7

About 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile

2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile (PubChem CID 79573800) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
PubChem CID79573800
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
SMILESCN(CCC1CCCC1(C#N)NC1CC1)CC1CCC1
InChIInChI=1S/C17H29N3/c1-20(12-14-4-2-5-14)11-9-15-6-3-10-17(15,13-18)19-16-7-8-16/h14-16,19H,2-12H2,1H3
InChIKeyLGWRULZJEXLFGC-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-2-[2-[cyclopropylmethyl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79573105
1-(ethylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79575972
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 115561403
2-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 105416538
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79565582
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626858
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576141
2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79577792
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79564870

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile (CID 79573800) is 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile is CN(CCC1CCCC1(C#N)NC1CC1)CC1CCC1.
What is the InChIKey of 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile?
The InChIKey is LGWRULZJEXLFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-20(12-14-4-2-5-14)11-9-15-6-3-10-17(15,13-18)19-16-7-8-16/h14-16,19H,2-12H2,1H3.
What are the key properties of 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile?
2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile has a molecular weight of 275.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79573800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).