2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C12H28N2 — CID 62262144

IUPAC2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(C)C
InChIInChI=1S/C12H28N2/c1-7-12(4,10-14(5)6)9-13-8-11(2)3/h11,13H,7-10H2,1-6H3
InChIKeyMIJBQKCYBYVSMU-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.21
Rot. Bonds7

About 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine

2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62262144) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62262144
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(C)C
InChIInChI=1S/C12H28N2/c1-7-12(4,10-14(5)6)9-13-8-11(2)3/h11,13H,7-10H2,1-6H3
InChIKeyMIJBQKCYBYVSMU-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-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-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62262144) is 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(C)(CNCC(C)C)CN(C)C.
What is the InChIKey of 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is MIJBQKCYBYVSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-12(4,10-14(5)6)9-13-8-11(2)3/h11,13H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62262144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).