3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C15H29N3 — CID 79638696

IUPAC3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCC(C)N(C)C1CCC(C#N)(NC(C)C)C1
InChIInChI=1S/C15H29N3/c1-6-7-13(4)18(5)14-8-9-15(10-14,11-16)17-12(2)3/h12-14,17H,6-10H2,1-5H3
InChIKeyZGOXIOVNXRIVTP-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.92
Rot. Bonds6

About 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79638696) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79638696
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCC(C)N(C)C1CCC(C#N)(NC(C)C)C1
InChIInChI=1S/C15H29N3/c1-6-7-13(4)18(5)14-8-9-15(10-14,11-16)17-12(2)3/h12-14,17H,6-10H2,1-5H3
InChIKeyZGOXIOVNXRIVTP-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638527
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79640038
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639608
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625824
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639452
1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639856
1-(cyclopropylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639855
3-[cyclopentyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79624977
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625000
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639442

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79638696) is 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CCCC(C)N(C)C1CCC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is ZGOXIOVNXRIVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-7-13(4)18(5)14-8-9-15(10-14,11-16)17-12(2)3/h12-14,17H,6-10H2,1-5H3.
What are the key properties of 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 251.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).