(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine

C7H10N2 — CID 142468581

IUPAC(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
SMILES[H]/N=C/C(C=C)=C(\N)C=C
InChIInChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8H,1-2,9H2/b7-6-,8-5+
InChIKeyJXVIKQDTBAKFQX-WNXMRAAYSA-N
MW122.17 g/mol
LogP1.22
Rot. Bonds3

About (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine

(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine (PubChem CID 142468581) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
PubChem CID142468581
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
SMILES[H]/N=C/C(C=C)=C(\N)C=C
InChIInChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8H,1-2,9H2/b7-6-,8-5+
InChIKeyJXVIKQDTBAKFQX-WNXMRAAYSA-N
XLogP1.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 173954867
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CID 89173610
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CID 118682359
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CID 124148224
CID 124148224
CID 126608140
CID 126608140
CID 126633066
CID 126633066
CID 134188351
CID 134188351
CID 134415586
CID 134415586
CID 142446477
CID 142446477
CID 142972764
CID 142972764
CID 143020948
CID 143020948
CID 143106494
CID 143106494

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine (CID 142468581) is (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine is [H]/N=C/C(C=C)=C(\N)C=C.
What is the InChIKey of (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The InChIKey is JXVIKQDTBAKFQX-WNXMRAAYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8H,1-2,9H2/b7-6-,8-5+.
What are the key properties of (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine has a molecular weight of 122.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 142468581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).