1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile

C16H27N3 — CID 79625966

IUPAC1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
SMILESCC1CC1CN(C)C1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C16H27N3/c1-12-8-13(12)10-19(2)15-4-3-7-16(9-15,11-17)18-14-5-6-14/h12-15,18H,3-10H2,1-2H3
InChIKeyNWDPJQWABVCHLO-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.53
Rot. Bonds5

About 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile

1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile (PubChem CID 79625966) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
PubChem CID79625966
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
SMILESCC1CC1CN(C)C1CCCC(C#N)(NC2CC2)C1
InChIInChI=1S/C16H27N3/c1-12-8-13(12)10-19(2)15-4-3-7-16(9-15,11-17)18-14-5-6-14/h12-15,18H,3-10H2,1-2H3
InChIKeyNWDPJQWABVCHLO-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 79626858
1-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclopentane-1-carbonitrile
CID 79638581
1-(cyclopropylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclohexane-1-carbonitrile
CID 79850230
1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639654
1-(cyclopropylamino)-3-[cyclopropylmethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 79625729
1-(cyclopropylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 79639453
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79625528
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79627220
1-(ethylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 79625056
1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbonitrile
CID 79625232
3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 81061358

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile (CID 79625966) is 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile is CC1CC1CN(C)C1CCCC(C#N)(NC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile?
The InChIKey is NWDPJQWABVCHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-8-13(12)10-19(2)15-4-3-7-16(9-15,11-17)18-14-5-6-14/h12-15,18H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile?
1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile has a molecular weight of 261.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).