(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine

C10H18N2 — CID 144877715

IUPAC(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine
SMILES[H]/N=C/C(/C=C/CC(C)C)=C(/C)N
InChIInChI=1S/C10H18N2/c1-8(2)5-4-6-10(7-11)9(3)12/h4,6-8,11H,5,12H2,1-3H3/b6-4+,10-9-,11-7+
InChIKeyDNNOXCHEUUHBML-VJXFAQNQSA-N
MW166.27 g/mol
LogP2.47
Rot. Bonds4

About (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine

(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine (PubChem CID 144877715) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine
PubChem CID144877715
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine
SMILES[H]/N=C/C(/C=C/CC(C)C)=C(/C)N
InChIInChI=1S/C10H18N2/c1-8(2)5-4-6-10(7-11)9(3)12/h4,6-8,11H,5,12H2,1-3H3/b6-4+,10-9-,11-7+
InChIKeyDNNOXCHEUUHBML-VJXFAQNQSA-N
XLogP2.47
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.47
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 (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine (CID 144877715) is (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine is [H]/N=C/C(/C=C/CC(C)C)=C(/C)N.
What is the InChIKey of (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine?
The InChIKey is DNNOXCHEUUHBML-VJXFAQNQSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)5-4-6-10(7-11)9(3)12/h4,6-8,11H,5,12H2,1-3H3/b6-4+,10-9-,11-7+.
What are the key properties of (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine?
(2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-methanimidoyl-7-methylocta-2,4-dien-2-amine is sourced from PubChem (CID 144877715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).