N-(naphthalen-1-ylmethyl)but-2-yn-1-amine

C15H15N — CID 62369584

IUPACN-(naphthalen-1-ylmethyl)but-2-yn-1-amine
SMILESCC#CCNCc1cccc2ccccc12
InChIInChI=1S/C15H15N/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,16H,11-12H2,1H3
InChIKeyAPNYTBNCUMGIBL-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.95
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)but-2-yn-1-amine

N-(naphthalen-1-ylmethyl)but-2-yn-1-amine (PubChem CID 62369584) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)but-2-yn-1-amine
PubChem CID62369584
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC NameN-(naphthalen-1-ylmethyl)but-2-yn-1-amine
SMILESCC#CCNCc1cccc2ccccc12
InChIInChI=1S/C15H15N/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,16H,11-12H2,1H3
InChIKeyAPNYTBNCUMGIBL-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
3-(naphthalen-1-ylmethylamino)propanenitrile
CID 28728133
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
N,N-dimethyl-2-(naphthalen-1-ylmethylamino)acetamide
CID 21468663
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
CID 66045234

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)but-2-yn-1-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)but-2-yn-1-amine (CID 62369584) is N-(naphthalen-1-ylmethyl)but-2-yn-1-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)but-2-yn-1-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)but-2-yn-1-amine is CC#CCNCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)but-2-yn-1-amine?
The InChIKey is APNYTBNCUMGIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-3-11-16-12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,16H,11-12H2,1H3.
What are the key properties of N-(naphthalen-1-ylmethyl)but-2-yn-1-amine?
N-(naphthalen-1-ylmethyl)but-2-yn-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)but-2-yn-1-amine is sourced from PubChem (CID 62369584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).