N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine

C18H26N2 — CID 43295722

IUPACN'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine
SMILESCCC(C)CN(C)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H26N2/c1-4-14(2)12-20(3)13-18(19)17-10-9-15-7-5-6-8-16(15)11-17/h5-11,14,18H,4,12-13,19H2,1-3H3
InChIKeyOWLUYPHJMDLLGH-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.82
Rot. Bonds6

About N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine

N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine (PubChem CID 43295722) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine
PubChem CID43295722
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine
SMILESCCC(C)CN(C)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H26N2/c1-4-14(2)12-20(3)13-18(19)17-10-9-15-7-5-6-8-16(15)11-17/h5-11,14,18H,4,12-13,19H2,1-3H3
InChIKeyOWLUYPHJMDLLGH-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-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

N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine
CID 81055908
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2-butan-2-yloxy-1-naphthalen-2-ylethanamine
CID 54944139
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 43295706
1-naphthalen-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275229
1-naphthalen-2-ylethanamine
CID 3857145
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine (CID 43295722) is N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine is CCC(C)CN(C)CC(N)c1ccc2ccccc2c1.
What is the InChIKey of N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine?
The InChIKey is OWLUYPHJMDLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-14(2)12-20(3)13-18(19)17-10-9-15-7-5-6-8-16(15)11-17/h5-11,14,18H,4,12-13,19H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine?
N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43295722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).