2-iminohex-5-ene-3,3-diamine

C6H13N3 — CID 57103495

IUPAC2-iminohex-5-ene-3,3-diamine
SMILES[H]/N=C(\C)C(N)(N)CC=C
InChIInChI=1S/C6H13N3/c1-3-4-6(8,9)5(2)7/h3,7H,1,4,8-9H2,2H3/b7-5+
InChIKeyVQCAUSPQVXNWCI-FNORWQNLSA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds3

About 2-iminohex-5-ene-3,3-diamine

2-iminohex-5-ene-3,3-diamine (PubChem CID 57103495) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-iminohex-5-ene-3,3-diamine.

Molecular Properties

Compound Name2-iminohex-5-ene-3,3-diamine
PubChem CID57103495
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-iminohex-5-ene-3,3-diamine
SMILES[H]/N=C(\C)C(N)(N)CC=C
InChIInChI=1S/C6H13N3/c1-3-4-6(8,9)5(2)7/h3,7H,1,4,8-9H2,2H3/b7-5+
InChIKeyVQCAUSPQVXNWCI-FNORWQNLSA-N
XLogP0.22
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-iminohex-5-ene-3,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butyrylathylenimin
CID 123726434
Hex-1-ene-3,4-diimine
CID 123827973
Hex-5-en-2-imine
CID 123519653
Hepta-1,6-dien-4-imine
CID 88661458
Pent-4-en-2-imine
CID 123337218
2-Iminohex-5-en-3-amine
CID 123342184
Hept-6-ene-2,3-diimine
CID 123388790
Hept-6-en-2-imine
CID 123974670
Pent-4-ene-2,3-diimine
CID 141909284
(E)-hex-5-en-2-ylidenehydrazine
CID 144105671
Hex-5-en-3-imine
CID 147325872
Hept-5-ene-2,3-diimine
CID 151064662

Frequently Asked Questions

What is the IUPAC name of 2-iminohex-5-ene-3,3-diamine?
The IUPAC name of 2-iminohex-5-ene-3,3-diamine (CID 57103495) is 2-iminohex-5-ene-3,3-diamine.
What is the SMILES notation for 2-iminohex-5-ene-3,3-diamine?
The canonical SMILES for 2-iminohex-5-ene-3,3-diamine is [H]/N=C(\C)C(N)(N)CC=C.
What is the InChIKey of 2-iminohex-5-ene-3,3-diamine?
The InChIKey is VQCAUSPQVXNWCI-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-4-6(8,9)5(2)7/h3,7H,1,4,8-9H2,2H3/b7-5+.
What are the key properties of 2-iminohex-5-ene-3,3-diamine?
2-iminohex-5-ene-3,3-diamine has a molecular weight of 127.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminohex-5-ene-3,3-diamine is sourced from PubChem (CID 57103495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).