1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine

C11H20N2 — CID 145187176

IUPAC1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine
SMILESC=CCNC(=C)NC(C=C)C(C)C
InChIInChI=1S/C11H20N2/c1-6-8-12-10(5)13-11(7-2)9(3)4/h6-7,9,11-13H,1-2,5,8H2,3-4H3
InChIKeyNGQYBNYVQBYQAV-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.03
Rot. Bonds7

About 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine

1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine (PubChem CID 145187176) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine
PubChem CID145187176
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine
SMILESC=CCNC(=C)NC(C=C)C(C)C
InChIInChI=1S/C11H20N2/c1-6-8-12-10(5)13-11(7-2)9(3)4/h6-7,9,11-13H,1-2,5,8H2,3-4H3
InChIKeyNGQYBNYVQBYQAV-UHFFFAOYSA-N
XLogP2.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-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'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine?
The IUPAC name of 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine (CID 145187176) is 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine.
What is the SMILES notation for 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine?
The canonical SMILES for 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine is C=CCNC(=C)NC(C=C)C(C)C.
What is the InChIKey of 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine?
The InChIKey is NGQYBNYVQBYQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-8-12-10(5)13-11(7-2)9(3)4/h6-7,9,11-13H,1-2,5,8H2,3-4H3.
What are the key properties of 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine?
1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-methylpent-1-en-3-yl)-1-N-prop-2-enylethene-1,1-diamine is sourced from PubChem (CID 145187176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).