2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile

C16H31N3 — CID 106803367

IUPAC2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
SMILESCCC1CCC(N(C)CCCC(N)(C#N)CC)CC1
InChIInChI=1S/C16H31N3/c1-4-14-7-9-15(10-8-14)19(3)12-6-11-16(18,5-2)13-17/h14-15H,4-12,18H2,1-3H3
InChIKeySXAGDLWPXWGSDR-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.30
Rot. Bonds7

About 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile

2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile (PubChem CID 106803367) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
PubChem CID106803367
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
SMILESCCC1CCC(N(C)CCCC(N)(C#N)CC)CC1
InChIInChI=1S/C16H31N3/c1-4-14-7-9-15(10-8-14)19(3)12-6-11-16(18,5-2)13-17/h14-15H,4-12,18H2,1-3H3
InChIKeySXAGDLWPXWGSDR-UHFFFAOYSA-N
XLogP3.30
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889
2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
CID 106803362
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909
2-amino-2-ethyl-5-(4-ethylpiperidin-1-yl)pentanenitrile
CID 106803381
2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064071
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
CID 54967192
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
CID 106803370

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile (CID 106803367) is 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile is CCC1CCC(N(C)CCCC(N)(C#N)CC)CC1.
What is the InChIKey of 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile?
The InChIKey is SXAGDLWPXWGSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-14-7-9-15(10-8-14)19(3)12-6-11-16(18,5-2)13-17/h14-15H,4-12,18H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile?
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile is sourced from PubChem (CID 106803367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).