3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile

C17H29N3 — CID 79639512

IUPAC3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N(CC2CC2)CC2CC2)C1
InChIInChI=1S/C17H29N3/c1-2-9-19-17(13-18)8-7-16(10-17)20(11-14-3-4-14)12-15-5-6-15/h14-16,19H,2-12H2,1H3
InChIKeyMKPFNNZPAPUNHM-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.92
Rot. Bonds8

About 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile

3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79639512) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79639512
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N(CC2CC2)CC2CC2)C1
InChIInChI=1S/C17H29N3/c1-2-9-19-17(13-18)8-7-16(10-17)20(11-14-3-4-14)12-15-5-6-15/h14-16,19H,2-12H2,1H3
InChIKeyMKPFNNZPAPUNHM-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639179
3-[methyl(oxan-4-ylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639785
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639281
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639909
3-[methyl(3,3,3-trifluoropropyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638442
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625000
3-[cyclopropyl(ethyl)amino]-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626086
3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 81061361
1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 79625729

Frequently Asked Questions

What is the IUPAC name of 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79639512) is 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(N(CC2CC2)CC2CC2)C1.
What is the InChIKey of 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is MKPFNNZPAPUNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-9-19-17(13-18)8-7-16(10-17)20(11-14-3-4-14)12-15-5-6-15/h14-16,19H,2-12H2,1H3.
What are the key properties of 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile?
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 275.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).