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

C16H17N — CID 113341996

IUPACN-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
SMILESCC#CCNC(C)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N/c1-3-4-11-17-13(2)15-10-9-14-7-5-6-8-16(14)12-15/h5-10,12-13,17H,11H2,1-2H3
InChIKeyJVSSXYZXWMXCFW-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.51
Rot. Bonds3

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

N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine (PubChem CID 113341996) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
PubChem CID113341996
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-(1-naphthalen-2-ylethyl)but-2-yn-1-amine
SMILESCC#CCNC(C)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N/c1-3-4-11-17-13(2)15-10-9-14-7-5-6-8-16(14)12-15/h5-10,12-13,17H,11H2,1-2H3
InChIKeyJVSSXYZXWMXCFW-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
N-[(1R)-1-(3-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 81372969
2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
CID 83142738
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 115896237
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
N-[1-(3,5-difluorophenyl)ethyl]but-2-yn-1-amine
CID 115897018
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine?
The IUPAC name of N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine (CID 113341996) is N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine is CC#CCNC(C)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine?
The InChIKey is JVSSXYZXWMXCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-3-4-11-17-13(2)15-10-9-14-7-5-6-8-16(14)12-15/h5-10,12-13,17H,11H2,1-2H3.
What are the key properties of N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine?
N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine has a molecular weight of 223.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)but-2-yn-1-amine is sourced from PubChem (CID 113341996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).