2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile

C15H29N3 — CID 64727500

IUPAC2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
SMILESCCC1CCC(N(C)C(C)CC(C)(N)C#N)CC1
InChIInChI=1S/C15H29N3/c1-5-13-6-8-14(9-7-13)18(4)12(2)10-15(3,17)11-16/h12-14H,5-10,17H2,1-4H3
InChIKeyZQCMJOYWDLOQGS-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.91
Rot. Bonds5

About 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile

2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile (PubChem CID 64727500) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
PubChem CID64727500
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
SMILESCCC1CCC(N(C)C(C)CC(C)(N)C#N)CC1
InChIInChI=1S/C15H29N3/c1-5-13-6-8-14(9-7-13)18(4)12(2)10-15(3,17)11-16/h12-14H,5-10,17H2,1-4H3
InChIKeyZQCMJOYWDLOQGS-UHFFFAOYSA-N
XLogP2.91
TPSA53.05 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
CID 64727501
2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentan-1-ol
CID 64825627
2-amino-2-methyl-4-[methyl(propyl)amino]pentanenitrile
CID 64727066
2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 54948197
2-amino-2-methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 64727498
3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile
CID 144865572
4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
CID 61450845
1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
CID 64819349
2-amino-4-[3-(dimethylamino)propyl-ethylamino]-2-methylpentanenitrile
CID 102996417
1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 63490991

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile (CID 64727500) is 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile is CCC1CCC(N(C)C(C)CC(C)(N)C#N)CC1.
What is the InChIKey of 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile?
The InChIKey is ZQCMJOYWDLOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-13-6-8-14(9-7-13)18(4)12(2)10-15(3,17)11-16/h12-14H,5-10,17H2,1-4H3.
What are the key properties of 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile?
2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile is sourced from PubChem (CID 64727500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).