2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile

C16H18N2 — CID 115253733

IUPAC2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)c1cccc2ccccc12
InChIInChI=1S/C16H18N2/c1-3-13(11-17)12-18(2)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,3,12H2,1-2H3
InChIKeyMGRYGYYKGNBODP-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.83
Rot. Bonds4

About 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile

2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile (PubChem CID 115253733) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile
PubChem CID115253733
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)c1cccc2ccccc12
InChIInChI=1S/C16H18N2/c1-3-13(11-17)12-18(2)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,3,12H2,1-2H3
InChIKeyMGRYGYYKGNBODP-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile 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

3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
2-[(5-fluoro-2-methoxy-N-methylanilino)methyl]butanenitrile
CID 115253621
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
2-[(4-butan-2-yl-N-methylanilino)methyl]butanenitrile
CID 115253627
2-[[N-methyl-4-(2-methylpropyl)anilino]methyl]butanenitrile
CID 115253625
(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 43649715
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile
CID 115253964
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile?
The IUPAC name of 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile (CID 115253733) is 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile.
What is the SMILES notation for 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile?
The canonical SMILES for 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile is CCC(C#N)CN(C)c1cccc2ccccc12.
What is the InChIKey of 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile?
The InChIKey is MGRYGYYKGNBODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-13(11-17)12-18(2)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,3,12H2,1-2H3.
What are the key properties of 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile?
2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile has a molecular weight of 238.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(naphthalen-1-yl)amino]methyl]butanenitrile is sourced from PubChem (CID 115253733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).