(Z)-3-methanimidoylpent-3-ene-1,4-diamine

C6H13N3 — CID 146259093

IUPAC(Z)-3-methanimidoylpent-3-ene-1,4-diamine
SMILES[H]/N=C/C(CCN)=C(/C)N
InChIInChI=1S/C6H13N3/c1-5(9)6(4-8)2-3-7/h4,8H,2-3,7,9H2,1H3/b6-5-,8-4+
InChIKeyYTUZZPKVVULIRI-QNMAEOQASA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds3

About (Z)-3-methanimidoylpent-3-ene-1,4-diamine

(Z)-3-methanimidoylpent-3-ene-1,4-diamine (PubChem CID 146259093) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-3-methanimidoylpent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-3-methanimidoylpent-3-ene-1,4-diamine
PubChem CID146259093
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(Z)-3-methanimidoylpent-3-ene-1,4-diamine
SMILES[H]/N=C/C(CCN)=C(/C)N
InChIInChI=1S/C6H13N3/c1-5(9)6(4-8)2-3-7/h4,8H,2-3,7,9H2,1H3/b6-5-,8-4+
InChIKeyYTUZZPKVVULIRI-QNMAEOQASA-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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methanimidoylpent-3-ene-1,4-diamine?
The IUPAC name of (Z)-3-methanimidoylpent-3-ene-1,4-diamine (CID 146259093) is (Z)-3-methanimidoylpent-3-ene-1,4-diamine.
What is the SMILES notation for (Z)-3-methanimidoylpent-3-ene-1,4-diamine?
The canonical SMILES for (Z)-3-methanimidoylpent-3-ene-1,4-diamine is [H]/N=C/C(CCN)=C(/C)N.
What is the InChIKey of (Z)-3-methanimidoylpent-3-ene-1,4-diamine?
The InChIKey is YTUZZPKVVULIRI-QNMAEOQASA-N. The full InChI is InChI=1S/C6H13N3/c1-5(9)6(4-8)2-3-7/h4,8H,2-3,7,9H2,1H3/b6-5-,8-4+.
What are the key properties of (Z)-3-methanimidoylpent-3-ene-1,4-diamine?
(Z)-3-methanimidoylpent-3-ene-1,4-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 (Z)-3-methanimidoylpent-3-ene-1,4-diamine is sourced from PubChem (CID 146259093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).