3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile

C17H31N3 — CID 63913097

IUPAC3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN(C)C1CCCCCC1)C1CC1
InChIInChI=1S/C17H31N3/c1-14(2)19-17(12-18,15-10-11-15)13-20(3)16-8-6-4-5-7-9-16/h14-16,19H,4-11,13H2,1-3H3
InChIKeyZYSMSFPVKKQKKS-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.31
Rot. Bonds6

About 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile

3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile (PubChem CID 63913097) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
PubChem CID63913097
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN(C)C1CCCCCC1)C1CC1
InChIInChI=1S/C17H31N3/c1-14(2)19-17(12-18,15-10-11-15)13-20(3)16-8-6-4-5-7-9-16/h14-16,19H,4-11,13H2,1-3H3
InChIKeyZYSMSFPVKKQKKS-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512
2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 63912692
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63912621
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
CID 63907007
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63907289
2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile
CID 63912025
3-[butan-2-yl(butyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63914008
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanenitrile
CID 63912053
2-cyclopropyl-2-(ethylamino)-3-[methyl-(1-methylpiperidin-3-yl)amino]propanenitrile
CID 63914894
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63913144
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 79184760

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile (CID 63913097) is 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(CN(C)C1CCCCCC1)C1CC1.
What is the InChIKey of 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is ZYSMSFPVKKQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(2)19-17(12-18,15-10-11-15)13-20(3)16-8-6-4-5-7-9-16/h14-16,19H,4-11,13H2,1-3H3.
What are the key properties of 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile?
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 277.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63913097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).