2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile

C16H18N2 — CID 116946417

IUPAC2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)C(N)c1cccc2ccccc12
InChIInChI=1S/C16H18N2/c1-11(2)15(10-17)16(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-16H,18H2,1-2H3
InChIKeyZHKQMRDIGUFQSG-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.64
Rot. Bonds3

About 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile

2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile (PubChem CID 116946417) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
PubChem CID116946417
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)C(N)c1cccc2ccccc12
InChIInChI=1S/C16H18N2/c1-11(2)15(10-17)16(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-16H,18H2,1-2H3
InChIKeyZHKQMRDIGUFQSG-UHFFFAOYSA-N
XLogP3.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
(2S,3R)-3-amino-2-methoxy-3-naphthalen-1-ylpropanenitrile
CID 124638636
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
2-cyclopropyl-1-naphthalen-1-ylpropan-1-amine
CID 83153913
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549

Frequently Asked Questions

What is the IUPAC name of 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile (CID 116946417) is 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile is CC(C)C(C#N)C(N)c1cccc2ccccc12.
What is the InChIKey of 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile?
The InChIKey is ZHKQMRDIGUFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-11(2)15(10-17)16(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15-16H,18H2,1-2H3.
What are the key properties of 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile?
2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile has a molecular weight of 238.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile is sourced from PubChem (CID 116946417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).