(E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine

C8H16N2 — CID 130180649

IUPAC(E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine
SMILESC/C=C\C(=C/CC)C(N)N
InChIInChI=1S/C8H16N2/c1-3-5-7(6-4-2)8(9)10/h3,5-6,8H,4,9-10H2,1-2H3/b5-3-,7-6+
InChIKeyBFUJXTBNVUSXBG-AIJKMKQJSA-N
MW140.23 g/mol
LogP1.14
Rot. Bonds3

About (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine

(E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine (PubChem CID 130180649) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine
PubChem CID130180649
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine
SMILESC/C=C\C(=C/CC)C(N)N
InChIInChI=1S/C8H16N2/c1-3-5-7(6-4-2)8(9)10/h3,5-6,8H,4,9-10H2,1-2H3/b5-3-,7-6+
InChIKeyBFUJXTBNVUSXBG-AIJKMKQJSA-N
XLogP1.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-[(Z)-prop-1-enyl]pent-2-ene-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 (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine?
The IUPAC name of (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine (CID 130180649) is (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine.
What is the SMILES notation for (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine?
The canonical SMILES for (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine is C/C=C\C(=C/CC)C(N)N.
What is the InChIKey of (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine?
The InChIKey is BFUJXTBNVUSXBG-AIJKMKQJSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-7(6-4-2)8(9)10/h3,5-6,8H,4,9-10H2,1-2H3/b5-3-,7-6+.
What are the key properties of (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine?
(E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-prop-1-enyl]pent-2-ene-1,1-diamine is sourced from PubChem (CID 130180649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).