1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile

C15H25N3 — CID 79639178

IUPAC1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
SMILESCCN(CC1CC1)C1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C15H25N3/c1-2-18(10-12-3-4-12)14-7-8-15(9-14,11-16)17-13-5-6-13/h12-14,17H,2-10H2,1H3
InChIKeyLHFFLTZAKLNBFD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds6

About 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile (PubChem CID 79639178) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
PubChem CID79639178
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
SMILESCCN(CC1CC1)C1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C15H25N3/c1-2-18(10-12-3-4-12)14-7-8-15(9-14,11-16)17-13-5-6-13/h12-14,17H,2-10H2,1H3
InChIKeyLHFFLTZAKLNBFD-UHFFFAOYSA-N
XLogP2.29
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.29
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
1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 79625729
1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639654
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625000
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639453
1-(cyclopropylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclopentane-1-carbonitrile
CID 79639992
1-(cyclopropylamino)-3-[cyclopropyl(2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 79638560
1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639855
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626858
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639608

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile (CID 79639178) is 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile is CCN(CC1CC1)C1CCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is LHFFLTZAKLNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-18(10-12-3-4-12)14-7-8-15(9-14,11-16)17-13-5-6-13/h12-14,17H,2-10H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 247.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).