3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile

C13H24N2 — CID 65083422

IUPAC3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile
SMILESCCC1CCCC(NCC(C)C#N)CC1
InChIInChI=1S/C13H24N2/c1-3-12-5-4-6-13(8-7-12)15-10-11(2)9-14/h11-13,15H,3-8,10H2,1-2H3
InChIKeyCHQJUJGVRMMDOG-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.09
Rot. Bonds4

About 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile

3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile (PubChem CID 65083422) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile
PubChem CID65083422
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile
SMILESCCC1CCCC(NCC(C)C#N)CC1
InChIInChI=1S/C13H24N2/c1-3-12-5-4-6-13(8-7-12)15-10-11(2)9-14/h11-13,15H,3-8,10H2,1-2H3
InChIKeyCHQJUJGVRMMDOG-UHFFFAOYSA-N
XLogP3.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
N'-(4-ethylcycloheptyl)ethane-1,2-diamine
CID 65083098
3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile
CID 80562417
4-(2-cyanopropylamino)cyclohexane-1-carboxamide
CID 61043742
2-[[(3-ethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367326
N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
CID 103460646
2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile
CID 62647435
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
CID 60665962
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
N-(2-ethoxyethyl)-4-ethylcycloheptan-1-amine
CID 65084124
N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
CID 65091091

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile (CID 65083422) is 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile is CCC1CCCC(NCC(C)C#N)CC1.
What is the InChIKey of 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile?
The InChIKey is CHQJUJGVRMMDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-12-5-4-6-13(8-7-12)15-10-11(2)9-14/h11-13,15H,3-8,10H2,1-2H3.
What are the key properties of 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile?
3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcycloheptyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 65083422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).