(1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine

C11H18N2 — CID 89129827

IUPAC(1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine
SMILES[H]/N=C(C)/C(/C=C\N)=C\C=C/C(C)C
InChIInChI=1S/C11H18N2/c1-9(2)5-4-6-11(7-8-12)10(3)13/h4-9,13H,12H2,1-3H3/b5-4-,8-7-,11-6-,13-10+
InChIKeyMQPLWDRNBGWSRT-PPSITRSSSA-N
MW178.28 g/mol
LogP2.64
Rot. Bonds4

About (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine

(1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine (PubChem CID 89129827) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine
PubChem CID89129827
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine
SMILES[H]/N=C(C)/C(/C=C\N)=C\C=C/C(C)C
InChIInChI=1S/C11H18N2/c1-9(2)5-4-6-11(7-8-12)10(3)13/h4-9,13H,12H2,1-3H3/b5-4-,8-7-,11-6-,13-10+
InChIKeyMQPLWDRNBGWSRT-PPSITRSSSA-N
XLogP2.64
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.64
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 (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine (CID 89129827) is (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine is [H]/N=C(C)/C(/C=C\N)=C\C=C/C(C)C.
What is the InChIKey of (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine?
The InChIKey is MQPLWDRNBGWSRT-PPSITRSSSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)5-4-6-11(7-8-12)10(3)13/h4-9,13H,12H2,1-3H3/b5-4-,8-7-,11-6-,13-10+.
What are the key properties of (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine?
(1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-3-ethanimidoyl-7-methylocta-1,3,5-trien-1-amine is sourced from PubChem (CID 89129827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).