2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile

C11H17N3 — CID 172761709

IUPAC2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile
SMILESCC1CCCCC1NCC(C#N)C#N
InChIInChI=1S/C11H17N3/c1-9-4-2-3-5-11(9)14-8-10(6-12)7-13/h9-11,14H,2-5,8H2,1H3
InChIKeyLTTVULLGUIKYLZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.82
Rot. Bonds3

About 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile

2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile (PubChem CID 172761709) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile.

Molecular Properties

Compound Name2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile
PubChem CID172761709
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile
SMILESCC1CCCCC1NCC(C#N)C#N
InChIInChI=1S/C11H17N3/c1-9-4-2-3-5-11(9)14-8-10(6-12)7-13/h9-11,14H,2-5,8H2,1H3
InChIKeyLTTVULLGUIKYLZ-UHFFFAOYSA-N
XLogP1.82
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methylcyclohexyl)amino]ethyl]propanedinitrile
CID 175601005
2-[2-[(2-methylcyclopentyl)amino]ethyl]propanedinitrile
CID 175601002
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile
CID 175600999
2-[1-[[(2-methylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65480154
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441063
2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 43205442
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 115721189
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile?
The IUPAC name of 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile (CID 172761709) is 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile.
What is the SMILES notation for 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile?
The canonical SMILES for 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile is CC1CCCCC1NCC(C#N)C#N.
What is the InChIKey of 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile?
The InChIKey is LTTVULLGUIKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-4-2-3-5-11(9)14-8-10(6-12)7-13/h9-11,14H,2-5,8H2,1H3.
What are the key properties of 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile?
2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile has a molecular weight of 191.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile is sourced from PubChem (CID 172761709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).