N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine

C17H24N2 — CID 106048462

IUPACN'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNc1ccc2ccccc2c1
InChIInChI=1S/C17H24N2/c1-14(2)19(3)12-6-11-18-17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13-14,18H,6,11-12H2,1-3H3
InChIKeyVSMUYPNXCIDFLQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.98
Rot. Bonds6

About N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine

N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106048462) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106048462
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNc1ccc2ccccc2c1
InChIInChI=1S/C17H24N2/c1-14(2)19(3)12-6-11-18-17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13-14,18H,6,11-12H2,1-3H3
InChIKeyVSMUYPNXCIDFLQ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-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-phenyl-2-naphthylamine
CID 8679
Proton sponge
CID 88675
N-1-Naphthylethylenediamine dihydrochloride
CID 15106
N-(1-Naphthyl)ethylenediamine
CID 15107
4,4'-Methylenebis(N-methylaniline)
CID 15735
N,N-dimethyl-1-naphthylamine
CID 6848
1-(Naphthalen-2-yl)piperazine
CID 2760172
N-(3-Methylphenyl)benzenemethanamine
CID 222281
1-(1-Naphthyl)piperazine hydrochloride
CID 2737391
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
1-(1-Naphthyl)piperazine
CID 1342
N-Methyl-1-naphthylamine
CID 16667

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine (CID 106048462) is N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNc1ccc2ccccc2c1.
What is the InChIKey of N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is VSMUYPNXCIDFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14(2)19(3)12-6-11-18-17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13-14,18H,6,11-12H2,1-3H3.
What are the key properties of N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine?
N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106048462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).