(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine

C9H14N2 — CID 144786516

IUPAC(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
SMILES[H]/N=C/C(=C/C)/C(=C\C=C)NC
InChIInChI=1S/C9H14N2/c1-4-6-9(11-3)8(5-2)7-10/h4-7,10-11H,1H2,2-3H3/b8-5-,9-6+,10-7+
InChIKeyXUHDJCDPJYTCGL-BOHRHADZSA-N
MW150.22 g/mol
LogP1.87
Rot. Bonds4

About (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine

(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine (PubChem CID 144786516) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
PubChem CID144786516
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
SMILES[H]/N=C/C(=C/C)/C(=C\C=C)NC
InChIInChI=1S/C9H14N2/c1-4-6-9(11-3)8(5-2)7-10/h4-7,10-11H,1H2,2-3H3/b8-5-,9-6+,10-7+
InChIKeyXUHDJCDPJYTCGL-BOHRHADZSA-N
XLogP1.87
TPSA35.88 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 ≤ 51.87
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

(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
CID 166837090
(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine
CID 138510815
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
4-methanimidoylhex-4-en-3-one
CID 155692065
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine (CID 144786516) is (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine is [H]/N=C/C(=C/C)/C(=C\C=C)NC.
What is the InChIKey of (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine?
The InChIKey is XUHDJCDPJYTCGL-BOHRHADZSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-9(11-3)8(5-2)7-10/h4-7,10-11H,1H2,2-3H3/b8-5-,9-6+,10-7+.
What are the key properties of (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine?
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine has a molecular weight of 150.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 144786516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).