1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine

C17H24N2 — CID 103109677

IUPAC1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-4-19(3)13-14(2)18-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,18H,4,12-13H2,1-3H3
InChIKeyZMZOJWMMHVJUGE-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.27
Rot. Bonds6

About 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine (PubChem CID 103109677) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
PubChem CID103109677
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-4-19(3)13-14(2)18-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,18H,4,12-13H2,1-3H3
InChIKeyZMZOJWMMHVJUGE-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-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

2-N-[(2-aminophenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106703561
1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703560
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
CID 103110034
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
CID 107329660
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
2-N-[(7-bromo-1-benzofuran-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103110012
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine (CID 103109677) is 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine is CCN(C)CC(C)NCc1cccc2ccccc12.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine?
The InChIKey is ZMZOJWMMHVJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-19(3)13-14(2)18-12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,18H,4,12-13H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103109677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).