3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile

C13H24N2 — CID 104587106

IUPAC3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CNCC1CCCCCC1
InChIInChI=1S/C13H24N2/c1-13(2,10-14)11-15-9-12-7-5-3-4-6-8-12/h12,15H,3-9,11H2,1-2H3
InChIKeyJDZYEORGAPOGQE-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.10
Rot. Bonds4

About 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile

3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile (PubChem CID 104587106) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
PubChem CID104587106
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)CNCC1CCCCCC1
InChIInChI=1S/C13H24N2/c1-13(2,10-14)11-15-9-12-7-5-3-4-6-8-12/h12,15H,3-9,11H2,1-2H3
InChIKeyJDZYEORGAPOGQE-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(oxan-4-ylmethylamino)propanenitrile
CID 104587192
2,2-dimethyl-3-(oxan-3-ylmethylamino)propanenitrile
CID 104587296
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
tert-butyl 2-[[(2-cyano-2-methylpropyl)amino]methyl]piperidine-1-carboxylate
CID 106634472
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine
CID 158786871
N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 79558553
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
CID 115652002
3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile (CID 104587106) is 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile is CC(C)(C#N)CNCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile?
The InChIKey is JDZYEORGAPOGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(2,10-14)11-15-9-12-7-5-3-4-6-8-12/h12,15H,3-9,11H2,1-2H3.
What are the key properties of 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile?
3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 104587106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).