2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine

C15H26N2 — CID 62009981

IUPAC2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
SMILESCCN(Cc1ccc(C)cc1)C(C)(CC)CN
InChIInChI=1S/C15H26N2/c1-5-15(4,12-16)17(6-2)11-14-9-7-13(3)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyVBBZCJZWCJHEPB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.94
Rot. Bonds6

About 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine

2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 62009981) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
PubChem CID62009981
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
SMILESCCN(Cc1ccc(C)cc1)C(C)(CC)CN
InChIInChI=1S/C15H26N2/c1-5-15(4,12-16)17(6-2)11-14-9-7-13(3)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyVBBZCJZWCJHEPB-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine (CID 62009981) is 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine is CCN(Cc1ccc(C)cc1)C(C)(CC)CN.
What is the InChIKey of 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is VBBZCJZWCJHEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-15(4,12-16)17(6-2)11-14-9-7-13(3)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3.
What are the key properties of 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 62009981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).