N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine

C17H20N4 — CID 114687541

IUPACN-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N4/c1-3-10-21-16(12-19-20-21)17(18-2)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12,17-18H,3,10H2,1-2H3
InChIKeyXNBXYFJXCVMSOW-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.15
Rot. Bonds5

About N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine

N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 114687541) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
PubChem CID114687541
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N4/c1-3-10-21-16(12-19-20-21)17(18-2)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12,17-18H,3,10H2,1-2H3
InChIKeyXNBXYFJXCVMSOW-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine 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

1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
CID 114687701
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038815
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038760
N-methyl-1-(3-propyltriazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105038531
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
1-(3-bromo-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038575

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine (CID 114687541) is N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is XNBXYFJXCVMSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-10-21-16(12-19-20-21)17(18-2)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12,17-18H,3,10H2,1-2H3.
What are the key properties of N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine?
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 280.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).