(4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine

C12H20N2 — CID 88997174

IUPAC(4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine
SMILES[H]/N=C/C=C\C(C)/C=C\C=C(\N)CCC
InChIInChI=1S/C12H20N2/c1-3-6-12(14)9-4-7-11(2)8-5-10-13/h4-5,7-11,13H,3,6,14H2,1-2H3/b7-4-,8-5-,12-9+,13-10+
InChIKeyWZCHJJZOALSBEE-KVFJAWDVSA-N
MW192.31 g/mol
LogP3.03
Rot. Bonds6

About (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine

(4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine (PubChem CID 88997174) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine.

Molecular Properties

Compound Name(4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine
PubChem CID88997174
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine
SMILES[H]/N=C/C=C\C(C)/C=C\C=C(\N)CCC
InChIInChI=1S/C12H20N2/c1-3-6-12(14)9-4-7-11(2)8-5-10-13/h4-5,7-11,13H,3,6,14H2,1-2H3/b7-4-,8-5-,12-9+,13-10+
InChIKeyWZCHJJZOALSBEE-KVFJAWDVSA-N
XLogP3.03
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.03
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 (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine?
The IUPAC name of (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine (CID 88997174) is (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine.
What is the SMILES notation for (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine?
The canonical SMILES for (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine is [H]/N=C/C=C\C(C)/C=C\C=C(\N)CCC.
What is the InChIKey of (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine?
The InChIKey is WZCHJJZOALSBEE-KVFJAWDVSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-6-12(14)9-4-7-11(2)8-5-10-13/h4-5,7-11,13H,3,6,14H2,1-2H3/b7-4-,8-5-,12-9+,13-10+.
What are the key properties of (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine?
(4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine has a molecular weight of 192.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine is sourced from PubChem (CID 88997174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).