(2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine

C15H28N4 — CID 177216892

IUPAC(2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine
SMILESC=C/N=C(N)/C(=C\C)CCC.CC/C(N)=C/C=C\N
InChIInChI=1S/C9H16N2.C6H12N2/c1-4-7-8(5-2)9(10)11-6-3;1-2-6(8)4-3-5-7/h5-6H,3-4,7H2,1-2H3,(H2,10,11);3-5H,2,7-8H2,1H3/b8-5-;5-3-,6-4-
InChIKeyNWPVEHOBYFULBG-PQIHCTGOSA-N
MW264.42 g/mol
LogP2.94
Rot. Bonds6

About (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine

(2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine (PubChem CID 177216892) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine
PubChem CID177216892
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name(2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine
SMILESC=C/N=C(N)/C(=C\C)CCC.CC/C(N)=C/C=C\N
InChIInChI=1S/C9H16N2.C6H12N2/c1-4-7-8(5-2)9(10)11-6-3;1-2-6(8)4-3-5-7/h5-6H,3-4,7H2,1-2H3,(H2,10,11);3-5H,2,7-8H2,1H3/b8-5-;5-3-,6-4-
InChIKeyNWPVEHOBYFULBG-PQIHCTGOSA-N
XLogP2.94
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine?
The IUPAC name of (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine (CID 177216892) is (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine.
What is the SMILES notation for (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine?
The canonical SMILES for (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine is C=C/N=C(N)/C(=C\C)CCC.CC/C(N)=C/C=C\N.
What is the InChIKey of (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine?
The InChIKey is NWPVEHOBYFULBG-PQIHCTGOSA-N. The full InChI is InChI=1S/C9H16N2.C6H12N2/c1-4-7-8(5-2)9(10)11-6-3;1-2-6(8)4-3-5-7/h5-6H,3-4,7H2,1-2H3,(H2,10,11);3-5H,2,7-8H2,1H3/b8-5-;5-3-,6-4-.
What are the key properties of (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine?
(2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-ethenyl-2-ethylidenepentanimidamide;(1Z,3Z)-hexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 177216892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).