N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine

C21H19N — CID 10446658

IUPACN-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(Cc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H19N/c1-2-14-22(16-18-8-4-3-5-9-18)17-19-12-13-20-10-6-7-11-21(20)15-19/h1,3-13,15H,14,16-17H2
InChIKeyHZFMMDJCSVKFBX-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.48
Rot. Bonds5

About N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine

N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine (PubChem CID 10446658) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine
PubChem CID10446658
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(Cc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H19N/c1-2-14-22(16-18-8-4-3-5-9-18)17-19-12-13-20-10-6-7-11-21(20)15-19/h1,3-13,15H,14,16-17H2
InChIKeyHZFMMDJCSVKFBX-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-N-(naphthalen-2-ylmethyl)prop-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

N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 170552008
2-[[4-[2-(2-methylphenyl)ethyl]phenyl]methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 142841765
[naphthalen-2-ylmethyl(phosphonomethyl)amino]methylphosphonic acid
CID 20776509
2-benzylnaphthalene
CID 11948
2-(bromomethyl)naphthalene;hydrobromide
CID 158623865
CID 15863483
CID 15863483
4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol
CID 102493799
N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine
CID 11155599
methyl 2-[benzyl(prop-2-ynyl)amino]acetate
CID 87487327
4-[benzyl(naphthalen-2-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 68879443
N,N-dibenzyl-2-naphthalen-2-ylacetamide
CID 16849652

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine (CID 10446658) is N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine is C#CCN(Cc1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine?
The InChIKey is HZFMMDJCSVKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-14-22(16-18-8-4-3-5-9-18)17-19-12-13-20-10-6-7-11-21(20)15-19/h1,3-13,15H,14,16-17H2.
What are the key properties of N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine?
N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine has a molecular weight of 285.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 10446658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).