1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile

C16H27N3 — CID 79638560

IUPAC1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)CN(C1CC1)C1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C16H27N3/c1-12(2)10-19(14-5-6-14)15-7-8-16(9-15,11-17)18-13-3-4-13/h12-15,18H,3-10H2,1-2H3
InChIKeyYRUCMFASBZWTKL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.67
Rot. Bonds6

About 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile (PubChem CID 79638560) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile
PubChem CID79638560
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)CN(C1CC1)C1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C16H27N3/c1-12(2)10-19(14-5-6-14)15-7-8-16(9-15,11-17)18-13-3-4-13/h12-15,18H,3-10H2,1-2H3
InChIKeyYRUCMFASBZWTKL-UHFFFAOYSA-N
XLogP2.67
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639654
1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639855
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
1-(cyclopropylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclopentane-1-carbonitrile
CID 79639992
3-[cyclopropyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638842
1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639453
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639666
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574
1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 79625729
3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79640026
1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636467

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile (CID 79638560) is 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile is CC(C)CN(C1CC1)C1CCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is YRUCMFASBZWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)10-19(14-5-6-14)15-7-8-16(9-15,11-17)18-13-3-4-13/h12-15,18H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 261.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).