3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

C16H29N3 — CID 79625000

IUPAC3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCCN(CC1CC1)C1CCCC(C#N)(NC(C)C)C1
InChIInChI=1S/C16H29N3/c1-4-19(11-14-7-8-14)15-6-5-9-16(10-15,12-17)18-13(2)3/h13-15,18H,4-11H2,1-3H3
InChIKeyOWRJBQBBKRNSDD-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds6

About 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (PubChem CID 79625000) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
PubChem CID79625000
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCCN(CC1CC1)C1CCCC(C#N)(NC(C)C)C1
InChIInChI=1S/C16H29N3/c1-4-19(11-14-7-8-14)15-6-5-9-16(10-15,12-17)18-13(2)3/h13-15,18H,4-11H2,1-3H3
InChIKeyOWRJBQBBKRNSDD-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625824
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
3-[cyclopentyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79624977
3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639179
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639608
1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 79625729
3-[bis(cyclopropylmethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639512
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79640038
3-[butan-2-yl(butyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79628235
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79627220
3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 81061358
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639452

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (CID 79625000) is 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is CCN(CC1CC1)C1CCCC(C#N)(NC(C)C)C1.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The InChIKey is OWRJBQBBKRNSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-19(11-14-7-8-14)15-6-5-9-16(10-15,12-17)18-13(2)3/h13-15,18H,4-11H2,1-3H3.
What are the key properties of 3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile has a molecular weight of 263.43 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-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).