(Z)-2-iminopent-3-ene-1,4-diamine

C5H11N3 — CID 89129435

IUPAC(Z)-2-iminopent-3-ene-1,4-diamine
SMILES[H]/N=C(/C=C(/C)N)CN
InChIInChI=1S/C5H11N3/c1-4(7)2-5(8)3-6/h2,8H,3,6-7H2,1H3/b4-2-,8-5-
InChIKeyVRQGZJYMEAVDEB-CFDRCTBLSA-N
MW113.16 g/mol
LogP-0.17
Rot. Bonds2

About (Z)-2-iminopent-3-ene-1,4-diamine

(Z)-2-iminopent-3-ene-1,4-diamine (PubChem CID 89129435) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-2-iminopent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-2-iminopent-3-ene-1,4-diamine
PubChem CID89129435
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(Z)-2-iminopent-3-ene-1,4-diamine
SMILES[H]/N=C(/C=C(/C)N)CN
InChIInChI=1S/C5H11N3/c1-4(7)2-5(8)3-6/h2,8H,3,6-7H2,1H3/b4-2-,8-5-
InChIKeyVRQGZJYMEAVDEB-CFDRCTBLSA-N
XLogP-0.17
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-iminopent-3-ene-1,4-diamine?
The IUPAC name of (Z)-2-iminopent-3-ene-1,4-diamine (CID 89129435) is (Z)-2-iminopent-3-ene-1,4-diamine.
What is the SMILES notation for (Z)-2-iminopent-3-ene-1,4-diamine?
The canonical SMILES for (Z)-2-iminopent-3-ene-1,4-diamine is [H]/N=C(/C=C(/C)N)CN.
What is the InChIKey of (Z)-2-iminopent-3-ene-1,4-diamine?
The InChIKey is VRQGZJYMEAVDEB-CFDRCTBLSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(7)2-5(8)3-6/h2,8H,3,6-7H2,1H3/b4-2-,8-5-.
What are the key properties of (Z)-2-iminopent-3-ene-1,4-diamine?
(Z)-2-iminopent-3-ene-1,4-diamine has a molecular weight of 113.16 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iminopent-3-ene-1,4-diamine is sourced from PubChem (CID 89129435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).