(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine

C9H14N2 — CID 142878696

IUPAC(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine
SMILES[H]/N=C/C(=C)/C(N)=C\C=C/CC
InChIInChI=1S/C9H14N2/c1-3-4-5-6-9(11)8(2)7-10/h4-7,10H,2-3,11H2,1H3/b5-4-,9-6+,10-7+
InChIKeyOBCGGCOBXMOUOU-RPINECDISA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds4

About (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine

(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine (PubChem CID 142878696) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine
PubChem CID142878696
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine
SMILES[H]/N=C/C(=C)/C(N)=C\C=C/CC
InChIInChI=1S/C9H14N2/c1-3-4-5-6-9(11)8(2)7-10/h4-7,10H,2-3,11H2,1H3/b5-4-,9-6+,10-7+
InChIKeyOBCGGCOBXMOUOU-RPINECDISA-N
XLogP2.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.00
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

ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine
CID 145036953
2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine
CID 142878695
(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine
CID 135278571
(2Z,4E)-1-iminohepta-2,4-dien-3-amine
CID 155149105
4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
pent-2-enimidamide
CID 74821450
(2Z,4E)-2-[(E)-pent-1-enyl]octa-2,4,7-trien-1-imine
CID 177055081
(2E)-1-methoxyhepta-2,4-dien-2-amine
CID 178080633
N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine
CID 123493065
(5E)-octa-3,5-diene
CID 173104147

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine (CID 142878696) is (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine is [H]/N=C/C(=C)/C(N)=C\C=C/CC.
What is the InChIKey of (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine?
The InChIKey is OBCGGCOBXMOUOU-RPINECDISA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-6-9(11)8(2)7-10/h4-7,10H,2-3,11H2,1H3/b5-4-,9-6+,10-7+.
What are the key properties of (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine?
(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine has a molecular weight of 150.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine is sourced from PubChem (CID 142878696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).