2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine

C18H32N2 — CID 63491028

IUPAC2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CNCC(C)C)C(C)C
InChIInChI=1S/C18H32N2/c1-7-20(17-10-8-9-16(6)11-17)18(15(4)5)13-19-12-14(2)3/h8-11,14-15,18-19H,7,12-13H2,1-6H3
InChIKeyOXAGOPRVTNGKBE-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.09
Rot. Bonds8

About 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine

2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 63491028) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID63491028
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CNCC(C)C)C(C)C
InChIInChI=1S/C18H32N2/c1-7-20(17-10-8-9-16(6)11-17)18(15(4)5)13-19-12-14(2)3/h8-11,14-15,18-19H,7,12-13H2,1-6H3
InChIKeyOXAGOPRVTNGKBE-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-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-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103225832
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
4-O-[1-(N-ethyl-3-methylanilino)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 70633161
2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
CID 63502531
2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 63502872
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
N-[1-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
CID 101321416
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine (CID 63491028) is 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine is CCN(c1cccc(C)c1)C(CNCC(C)C)C(C)C.
What is the InChIKey of 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is OXAGOPRVTNGKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-20(17-10-8-9-16(6)11-17)18(15(4)5)13-19-12-14(2)3/h8-11,14-15,18-19H,7,12-13H2,1-6H3.
What are the key properties of 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 63491028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).