1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine

C9H22N2 — CID 154626432

IUPAC1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
SMILESCCCNC(NCC)C(C)C
InChIInChI=1S/C9H22N2/c1-5-7-11-9(8(3)4)10-6-2/h8-11H,5-7H2,1-4H3
InChIKeyZHZMBHDKPLSYFH-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.58
Rot. Bonds6

About 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine

1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine (PubChem CID 154626432) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
PubChem CID154626432
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
SMILESCCCNC(NCC)C(C)C
InChIInChI=1S/C9H22N2/c1-5-7-11-9(8(3)4)10-6-2/h8-11H,5-7H2,1-4H3
InChIKeyZHZMBHDKPLSYFH-UHFFFAOYSA-N
XLogP1.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-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 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine?
The IUPAC name of 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine (CID 154626432) is 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine?
The canonical SMILES for 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine is CCCNC(NCC)C(C)C.
What is the InChIKey of 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine?
The InChIKey is ZHZMBHDKPLSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-7-11-9(8(3)4)10-6-2/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine?
1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine is sourced from PubChem (CID 154626432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).