(Z)-2-methanimidoylpent-1-ene-1,5-diamine

C6H13N3 — CID 118463842

IUPAC(Z)-2-methanimidoylpent-1-ene-1,5-diamine
SMILES[H]/N=C/C(=C\N)CCCN
InChIInChI=1S/C6H13N3/c7-3-1-2-6(4-8)5-9/h4-5,8H,1-3,7,9H2/b6-5-,8-4+
InChIKeyJSJRGMHMBCUTQQ-QNMAEOQASA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds4

About (Z)-2-methanimidoylpent-1-ene-1,5-diamine

(Z)-2-methanimidoylpent-1-ene-1,5-diamine (PubChem CID 118463842) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-2-methanimidoylpent-1-ene-1,5-diamine.

Molecular Properties

Compound Name(Z)-2-methanimidoylpent-1-ene-1,5-diamine
PubChem CID118463842
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(Z)-2-methanimidoylpent-1-ene-1,5-diamine
SMILES[H]/N=C/C(=C\N)CCCN
InChIInChI=1S/C6H13N3/c7-3-1-2-6(4-8)5-9/h4-5,8H,1-3,7,9H2/b6-5-,8-4+
InChIKeyJSJRGMHMBCUTQQ-QNMAEOQASA-N
XLogP0.22
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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)-2-methanimidoylpent-1-ene-1,5-diamine?
The IUPAC name of (Z)-2-methanimidoylpent-1-ene-1,5-diamine (CID 118463842) is (Z)-2-methanimidoylpent-1-ene-1,5-diamine.
What is the SMILES notation for (Z)-2-methanimidoylpent-1-ene-1,5-diamine?
The canonical SMILES for (Z)-2-methanimidoylpent-1-ene-1,5-diamine is [H]/N=C/C(=C\N)CCCN.
What is the InChIKey of (Z)-2-methanimidoylpent-1-ene-1,5-diamine?
The InChIKey is JSJRGMHMBCUTQQ-QNMAEOQASA-N. The full InChI is InChI=1S/C6H13N3/c7-3-1-2-6(4-8)5-9/h4-5,8H,1-3,7,9H2/b6-5-,8-4+.
What are the key properties of (Z)-2-methanimidoylpent-1-ene-1,5-diamine?
(Z)-2-methanimidoylpent-1-ene-1,5-diamine has a molecular weight of 127.19 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methanimidoylpent-1-ene-1,5-diamine is sourced from PubChem (CID 118463842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).