2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile

C19H24N2 — CID 106709273

IUPAC2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
SMILESCC(C)(C#N)CCCCNCc1cccc2ccccc12
InChIInChI=1S/C19H24N2/c1-19(2,15-20)12-5-6-13-21-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11,21H,5-6,12-14H2,1-2H3
InChIKeyOVPVQKIXMYYXIC-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.65
Rot. Bonds7

About 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile

2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile (PubChem CID 106709273) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
PubChem CID106709273
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
SMILESCC(C)(C#N)CCCCNCc1cccc2ccccc12
InChIInChI=1S/C19H24N2/c1-19(2,15-20)12-5-6-13-21-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11,21H,5-6,12-14H2,1-2H3
InChIKeyOVPVQKIXMYYXIC-UHFFFAOYSA-N
XLogP4.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-[(2-methylphenyl)methylamino]hexanenitrile
CID 106709115
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
3-(naphthalen-1-ylmethylamino)propanenitrile
CID 28728133
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
5-[2-fluoro-6-(propylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 115953409
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
CID 59694789
CID 59694789
6-(2-ethylanilino)-2,2-dimethylhexanenitrile
CID 106709014
6-[2-(ethylaminomethyl)-6-fluorophenoxy]-2,2-dimethylhexanenitrile
CID 106708883
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile (CID 106709273) is 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile is CC(C)(C#N)CCCCNCc1cccc2ccccc12.
What is the InChIKey of 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile?
The InChIKey is OVPVQKIXMYYXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-19(2,15-20)12-5-6-13-21-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11,21H,5-6,12-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile?
2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile has a molecular weight of 280.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile is sourced from PubChem (CID 106709273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).