(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine

C9H16N2 — CID 143255281

IUPAC(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
SMILES[H]/N=C/C(=C/C)/C(N)=C\C(C)C
InChIInChI=1S/C9H16N2/c1-4-8(6-10)9(11)5-7(2)3/h4-7,10H,11H2,1-3H3/b8-4-,9-5+,10-6+
InChIKeyBEZCQSAUZGOQLB-JCLKPIFKSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds3

About (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine

(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine (PubChem CID 143255281) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
PubChem CID143255281
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
SMILES[H]/N=C/C(=C/C)/C(N)=C\C(C)C
InChIInChI=1S/C9H16N2/c1-4-8(6-10)9(11)5-7(2)3/h4-7,10H,11H2,1-3H3/b8-4-,9-5+,10-6+
InChIKeyBEZCQSAUZGOQLB-JCLKPIFKSA-N
XLogP2.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine?
The IUPAC name of (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine (CID 143255281) is (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine is [H]/N=C/C(=C/C)/C(N)=C\C(C)C.
What is the InChIKey of (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine?
The InChIKey is BEZCQSAUZGOQLB-JCLKPIFKSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(6-10)9(11)5-7(2)3/h4-7,10H,11H2,1-3H3/b8-4-,9-5+,10-6+.
What are the key properties of (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine?
(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine has a molecular weight of 152.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine is sourced from PubChem (CID 143255281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).