1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine

C9H20N2 — CID 146262775

IUPAC1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
SMILESC=C(N)N(C)CCCC(C)C
InChIInChI=1S/C9H20N2/c1-8(2)6-5-7-11(4)9(3)10/h8H,3,5-7,10H2,1-2,4H3
InChIKeyREEZZOQEGNMBGA-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.78
Rot. Bonds5

About 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine

1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine (PubChem CID 146262775) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
PubChem CID146262775
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
SMILESC=C(N)N(C)CCCC(C)C
InChIInChI=1S/C9H20N2/c1-8(2)6-5-7-11(4)9(3)10/h8H,3,5-7,10H2,1-2,4H3
InChIKeyREEZZOQEGNMBGA-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N'-methyl-1-N'-(4-methylpentyl)ethene-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'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine (CID 146262775) is 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine is C=C(N)N(C)CCCC(C)C.
What is the InChIKey of 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine?
The InChIKey is REEZZOQEGNMBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)6-5-7-11(4)9(3)10/h8H,3,5-7,10H2,1-2,4H3.
What are the key properties of 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine?
1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-N'-(4-methylpentyl)ethene-1,1-diamine is sourced from PubChem (CID 146262775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).