1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile

C15H29N3 — CID 79625349

IUPAC1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(N(CC(C)C)C(C)C)C1
InChIInChI=1S/C15H29N3/c1-12(2)10-18(13(3)4)14-7-6-8-15(9-14,11-16)17-5/h12-14,17H,6-10H2,1-5H3
InChIKeySCDYJQXIDQXNFG-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds5

About 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile

1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 79625349) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID79625349
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(N(CC(C)C)C(C)C)C1
InChIInChI=1S/C15H29N3/c1-12(2)10-18(13(3)4)14-7-6-8-15(9-14,11-16)17-5/h12-14,17H,6-10H2,1-5H3
InChIKeySCDYJQXIDQXNFG-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625408
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639666
1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625202
3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79640026
3-[ethyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625197
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626199
3-[butan-2-yl(butyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79628235
3-[cyclopentyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79624977
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625824
[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625000

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile (CID 79625349) is 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile is CNC1(C#N)CCCC(N(CC(C)C)C(C)C)C1.
What is the InChIKey of 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is SCDYJQXIDQXNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)10-18(13(3)4)14-7-6-8-15(9-14,11-16)17-5/h12-14,17H,6-10H2,1-5H3.
What are the key properties of 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile?
1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).