N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine

C15H20N2 — CID 4720020

IUPACN-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
SMILESCNCCCNCc1cccc2ccccc12
InChIInChI=1S/C15H20N2/c1-16-10-5-11-17-12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,16-17H,5,10-12H2,1H3
InChIKeyUEMRMBZEACOTEH-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.54
Rot. Bonds6

About N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine

N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine (PubChem CID 4720020) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
PubChem CID4720020
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
SMILESCNCCCNCc1cccc2ccccc12
InChIInChI=1S/C15H20N2/c1-16-10-5-11-17-12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,16-17H,5,10-12H2,1H3
InChIKeyUEMRMBZEACOTEH-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine 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,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
CID 59694789
CID 59694789
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
methyl 4-(naphthalen-1-ylmethylamino)butanoate
CID 60676758
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 114472242
2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
CID 106709273

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine (CID 4720020) is N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine is CNCCCNCc1cccc2ccccc12.
What is the InChIKey of N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine?
The InChIKey is UEMRMBZEACOTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-16-10-5-11-17-12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,16-17H,5,10-12H2,1H3.
What are the key properties of N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine?
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine has a molecular weight of 228.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 4720020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).