(3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine

C18H29N3 — CID 155477972

IUPAC(3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine
SMILES[H]/N=C/C=C(/C)C(C)(C)C(/C=C(/N)C/C=N/C)=C/C/C=C/C
InChIInChI=1S/C18H29N3/c1-6-7-8-9-16(14-17(20)11-13-21-5)18(3,4)15(2)10-12-19/h6-7,9-10,12-14,19H,8,11,20H2,1-5H3/b7-6+,15-10-,16-9+,17-14+,19-12+,21-13+
InChIKeyAOXPVWGPUJEJPX-UFRXNOKDSA-N
MW287.45 g/mol
LogP4.43
Rot. Bonds8

About (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine

(3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine (PubChem CID 155477972) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine.

Molecular Properties

Compound Name(3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine
PubChem CID155477972
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine
SMILES[H]/N=C/C=C(/C)C(C)(C)C(/C=C(/N)C/C=N/C)=C/C/C=C/C
InChIInChI=1S/C18H29N3/c1-6-7-8-9-16(14-17(20)11-13-21-5)18(3,4)15(2)10-12-19/h6-7,9-10,12-14,19H,8,11,20H2,1-5H3/b7-6+,15-10-,16-9+,17-14+,19-12+,21-13+
InChIKeyAOXPVWGPUJEJPX-UFRXNOKDSA-N
XLogP4.43
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine?
The IUPAC name of (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine (CID 155477972) is (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine.
What is the SMILES notation for (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine?
The canonical SMILES for (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine is [H]/N=C/C=C(/C)C(C)(C)C(/C=C(/N)C/C=N/C)=C/C/C=C/C.
What is the InChIKey of (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine?
The InChIKey is AOXPVWGPUJEJPX-UFRXNOKDSA-N. The full InChI is InChI=1S/C18H29N3/c1-6-7-8-9-16(14-17(20)11-13-21-5)18(3,4)15(2)10-12-19/h6-7,9-10,12-14,19H,8,11,20H2,1-5H3/b7-6+,15-10-,16-9+,17-14+,19-12+,21-13+.
What are the key properties of (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine?
(3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine has a molecular weight of 287.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine is sourced from PubChem (CID 155477972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).