4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile

C18H22N2 — CID 115232163

IUPAC4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile
SMILESCC(C)(CNCCCC#N)c1cccc2ccccc12
InChIInChI=1S/C18H22N2/c1-18(2,14-20-13-6-5-12-19)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,20H,5-6,13-14H2,1-2H3
InChIKeyYEOQVYKVRWPUID-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.01
Rot. Bonds6

About 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile

4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile (PubChem CID 115232163) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile
PubChem CID115232163
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile
SMILESCC(C)(CNCCCC#N)c1cccc2ccccc12
InChIInChI=1S/C18H22N2/c1-18(2,14-20-13-6-5-12-19)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,20H,5-6,13-14H2,1-2H3
InChIKeyYEOQVYKVRWPUID-UHFFFAOYSA-N
XLogP4.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.01
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

4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanenitrile
CID 115232104
4-[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232107
4-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232125
N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
CID 115166889
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
4-[[2-(4-methoxy-3-methylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232114
N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115216039
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
3-[[2-(4-tert-butylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231309
3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile?
The IUPAC name of 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile (CID 115232163) is 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile.
What is the SMILES notation for 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile?
The canonical SMILES for 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile is CC(C)(CNCCCC#N)c1cccc2ccccc12.
What is the InChIKey of 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile?
The InChIKey is YEOQVYKVRWPUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-18(2,14-20-13-6-5-12-19)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,20H,5-6,13-14H2,1-2H3.
What are the key properties of 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile?
4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile has a molecular weight of 266.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2-naphthalen-1-ylpropyl)amino]butanenitrile is sourced from PubChem (CID 115232163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).