2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine

C12H28N2 — CID 62039501

IUPAC2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CN(CC(C)C)C(C)C)NC
InChIInChI=1S/C12H28N2/c1-7-12(13-6)9-14(11(4)5)8-10(2)3/h10-13H,7-9H2,1-6H3
InChIKeyDRPFIWZDTBUANW-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds7

About 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine

2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 62039501) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID62039501
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CN(CC(C)C)C(C)C)NC
InChIInChI=1S/C12H28N2/c1-7-12(13-6)9-14(11(4)5)8-10(2)3/h10-13H,7-9H2,1-6H3
InChIKeyDRPFIWZDTBUANW-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-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-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine (CID 62039501) is 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine is CCC(CN(CC(C)C)C(C)C)NC.
What is the InChIKey of 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is DRPFIWZDTBUANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-12(13-6)9-14(11(4)5)8-10(2)3/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine?
2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62039501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).