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

C11H26N2 — CID 62040549

IUPAC2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCNC(CC)CN(C)CC(C)C
InChIInChI=1S/C11H26N2/c1-6-11(12-7-2)9-13(5)8-10(3)4/h10-12H,6-9H2,1-5H3
InChIKeyRKWWUXBXICHPRU-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds7

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

2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 62040549) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID62040549
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCNC(CC)CN(C)CC(C)C
InChIInChI=1S/C11H26N2/c1-6-11(12-7-2)9-13(5)8-10(3)4/h10-12H,6-9H2,1-5H3
InChIKeyRKWWUXBXICHPRU-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-ethyl-1-N-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine (CID 62040549) is 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine is CCNC(CC)CN(C)CC(C)C.
What is the InChIKey of 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is RKWWUXBXICHPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-11(12-7-2)9-13(5)8-10(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 62040549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).