3-(naphthalen-1-ylmethylamino)propanenitrile

C14H14N2 — CID 28728133

IUPAC3-(naphthalen-1-ylmethylamino)propanenitrile
SMILESN#CCCNCc1cccc2ccccc12
InChIInChI=1S/C14H14N2/c15-9-4-10-16-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,16H,4,10-11H2
InChIKeyHKVKIYFDCZIDAR-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.84
Rot. Bonds4

About 3-(naphthalen-1-ylmethylamino)propanenitrile

3-(naphthalen-1-ylmethylamino)propanenitrile (PubChem CID 28728133) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethylamino)propanenitrile.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethylamino)propanenitrile
PubChem CID28728133
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3-(naphthalen-1-ylmethylamino)propanenitrile
SMILESN#CCCNCc1cccc2ccccc12
InChIInChI=1S/C14H14N2/c15-9-4-10-16-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,16H,4,10-11H2
InChIKeyHKVKIYFDCZIDAR-UHFFFAOYSA-N
XLogP2.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.84
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

N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
3-[(4-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 78974976
CID 59694789
CID 59694789
2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
CID 106709273
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
3-[(3-chloro-2-fluorophenyl)methylamino]propanenitrile
CID 114487253
3-[(2-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 43215614
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[(2,6-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine
CID 62047867

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethylamino)propanenitrile?
The IUPAC name of 3-(naphthalen-1-ylmethylamino)propanenitrile (CID 28728133) is 3-(naphthalen-1-ylmethylamino)propanenitrile.
What is the SMILES notation for 3-(naphthalen-1-ylmethylamino)propanenitrile?
The canonical SMILES for 3-(naphthalen-1-ylmethylamino)propanenitrile is N#CCCNCc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethylamino)propanenitrile?
The InChIKey is HKVKIYFDCZIDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-9-4-10-16-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,16H,4,10-11H2.
What are the key properties of 3-(naphthalen-1-ylmethylamino)propanenitrile?
3-(naphthalen-1-ylmethylamino)propanenitrile has a molecular weight of 210.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethylamino)propanenitrile is sourced from PubChem (CID 28728133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).