6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile

C14H26N2O — CID 114117991

IUPAC6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile
SMILESCOC1CCC(NCCCCC(C)(C)C#N)C1
InChIInChI=1S/C14H26N2O/c1-14(2,11-15)8-4-5-9-16-12-6-7-13(10-12)17-3/h12-13,16H,4-10H2,1-3H3
InChIKeyGRXZSTMOAIIQDG-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.86
Rot. Bonds7

About 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile

6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile (PubChem CID 114117991) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile
PubChem CID114117991
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile
SMILESCOC1CCC(NCCCCC(C)(C)C#N)C1
InChIInChI=1S/C14H26N2O/c1-14(2,11-15)8-4-5-9-16-12-6-7-13(10-12)17-3/h12-13,16H,4-10H2,1-3H3
InChIKeyGRXZSTMOAIIQDG-UHFFFAOYSA-N
XLogP2.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
2,2-dimethyl-6-[4-(propylamino)cyclohexyl]oxyhexanenitrile
CID 106708901
3-[(5-cyano-5-methylhexyl)amino]cyclohexane-1-carboxylic acid
CID 106713203
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
2,2-dimethyl-5-[(6-oxopiperidin-3-yl)amino]pentanenitrile
CID 65254440
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
6-[(3-ethyl-2-methylcyclopentyl)amino]-2,2-dimethylhexanenitrile
CID 106709376
6-[[(1S)-1-cyclopentylethyl]amino]-2,2-dimethylhexanenitrile
CID 106709498
N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104870848
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile (CID 114117991) is 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile is COC1CCC(NCCCCC(C)(C)C#N)C1.
What is the InChIKey of 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile?
The InChIKey is GRXZSTMOAIIQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,11-15)8-4-5-9-16-12-6-7-13(10-12)17-3/h12-13,16H,4-10H2,1-3H3.
What are the key properties of 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile?
6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxycyclopentyl)amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 114117991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).