4-(2-naphthalen-2-ylethylamino)butanenitrile

C16H18N2 — CID 115231991

IUPAC4-(2-naphthalen-2-ylethylamino)butanenitrile
SMILESN#CCCCNCCc1ccc2ccccc2c1
InChIInChI=1S/C16H18N2/c17-10-3-4-11-18-12-9-14-7-8-15-5-1-2-6-16(15)13-14/h1-2,5-8,13,18H,3-4,9,11-12H2
InChIKeyOEYRTXTWJKHUIT-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.28
Rot. Bonds6

About 4-(2-naphthalen-2-ylethylamino)butanenitrile

4-(2-naphthalen-2-ylethylamino)butanenitrile (PubChem CID 115231991) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(2-naphthalen-2-ylethylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-naphthalen-2-ylethylamino)butanenitrile
PubChem CID115231991
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name4-(2-naphthalen-2-ylethylamino)butanenitrile
SMILESN#CCCCNCCc1ccc2ccccc2c1
InChIInChI=1S/C16H18N2/c17-10-3-4-11-18-12-9-14-7-8-15-5-1-2-6-16(15)13-14/h1-2,5-8,13,18H,3-4,9,11-12H2
InChIKeyOEYRTXTWJKHUIT-UHFFFAOYSA-N
XLogP3.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.28
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

3-naphthalen-2-ylpropanenitrile
CID 13308301
4-anthracen-2-ylbutanenitrile
CID 102026436
4-[2-(4-phenylphenyl)ethylamino]butanenitrile
CID 115231915
4-[2-(4-ethylphenyl)ethylamino]butanenitrile
CID 115231880
N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
CID 67834954
4-[2-(4-tert-butylphenyl)ethylamino]butanenitrile
CID 115231882
4-[2-(4-ethylsulfanylphenyl)ethylamino]butanenitrile
CID 115231954
4-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanenitrile
CID 115231960
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
N-[(4-fluorophenyl)methyl]-2-naphthalen-2-ylethanamine
CID 174517762

Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-ylethylamino)butanenitrile?
The IUPAC name of 4-(2-naphthalen-2-ylethylamino)butanenitrile (CID 115231991) is 4-(2-naphthalen-2-ylethylamino)butanenitrile.
What is the SMILES notation for 4-(2-naphthalen-2-ylethylamino)butanenitrile?
The canonical SMILES for 4-(2-naphthalen-2-ylethylamino)butanenitrile is N#CCCCNCCc1ccc2ccccc2c1.
What is the InChIKey of 4-(2-naphthalen-2-ylethylamino)butanenitrile?
The InChIKey is OEYRTXTWJKHUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-10-3-4-11-18-12-9-14-7-8-15-5-1-2-6-16(15)13-14/h1-2,5-8,13,18H,3-4,9,11-12H2.
What are the key properties of 4-(2-naphthalen-2-ylethylamino)butanenitrile?
4-(2-naphthalen-2-ylethylamino)butanenitrile has a molecular weight of 238.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-ylethylamino)butanenitrile is sourced from PubChem (CID 115231991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).