3-(naphthalen-2-ylmethylamino)pentanenitrile

C16H18N2 — CID 55101550

IUPAC3-(naphthalen-2-ylmethylamino)pentanenitrile
SMILESCCC(CC#N)NCc1ccc2ccccc2c1
InChIInChI=1S/C16H18N2/c1-2-16(9-10-17)18-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11,16,18H,2,9,12H2,1H3
InChIKeySJOOBWPSUIKIPF-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.62
Rot. Bonds5

About 3-(naphthalen-2-ylmethylamino)pentanenitrile

3-(naphthalen-2-ylmethylamino)pentanenitrile (PubChem CID 55101550) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethylamino)pentanenitrile
PubChem CID55101550
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-(naphthalen-2-ylmethylamino)pentanenitrile
SMILESCCC(CC#N)NCc1ccc2ccccc2c1
InChIInChI=1S/C16H18N2/c1-2-16(9-10-17)18-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11,16,18H,2,9,12H2,1H3
InChIKeySJOOBWPSUIKIPF-UHFFFAOYSA-N
XLogP3.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
3-[(4-bromo-3-fluorophenyl)methylamino]pentanenitrile
CID 81436828
3-[(3-propoxyphenyl)methylamino]pentanenitrile
CID 62646062
3-[(4-methylsulfanylphenyl)methylamino]pentanenitrile
CID 62646048
3-[[4-(difluoromethyl)phenyl]methylamino]pentanenitrile
CID 113328347
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
3-ethyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 63843096
N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636
3-[(4-methyl-3-nitrophenyl)methylamino]pentanenitrile
CID 55101458
1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 65047641
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]pentanenitrile
CID 62646412
N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
CID 62090634

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethylamino)pentanenitrile?
The IUPAC name of 3-(naphthalen-2-ylmethylamino)pentanenitrile (CID 55101550) is 3-(naphthalen-2-ylmethylamino)pentanenitrile.
What is the SMILES notation for 3-(naphthalen-2-ylmethylamino)pentanenitrile?
The canonical SMILES for 3-(naphthalen-2-ylmethylamino)pentanenitrile is CCC(CC#N)NCc1ccc2ccccc2c1.
What is the InChIKey of 3-(naphthalen-2-ylmethylamino)pentanenitrile?
The InChIKey is SJOOBWPSUIKIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-16(9-10-17)18-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11,16,18H,2,9,12H2,1H3.
What are the key properties of 3-(naphthalen-2-ylmethylamino)pentanenitrile?
3-(naphthalen-2-ylmethylamino)pentanenitrile has a molecular weight of 238.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethylamino)pentanenitrile is sourced from PubChem (CID 55101550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).