(5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine

C15H26N2 — CID 174246586

IUPAC(5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine
SMILES[H]/N=C/C(CC(/C=C\C(=C)C)=C(\C)CC)C(C)N
InChIInChI=1S/C15H26N2/c1-6-12(4)14(8-7-11(2)3)9-15(10-16)13(5)17/h7-8,10,13,15-16H,2,6,9,17H2,1,3-5H3/b8-7-,14-12+,16-10+
InChIKeyJQCBBATZPKLLIX-RTARCHSFSA-N
MW234.39 g/mol
LogP3.85
Rot. Bonds7

About (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine

(5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine (PubChem CID 174246586) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine.

Molecular Properties

Compound Name(5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine
PubChem CID174246586
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine
SMILES[H]/N=C/C(CC(/C=C\C(=C)C)=C(\C)CC)C(C)N
InChIInChI=1S/C15H26N2/c1-6-12(4)14(8-7-11(2)3)9-15(10-16)13(5)17/h7-8,10,13,15-16H,2,6,9,17H2,1,3-5H3/b8-7-,14-12+,16-10+
InChIKeyJQCBBATZPKLLIX-RTARCHSFSA-N
XLogP3.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.85
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 (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine?
The IUPAC name of (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine (CID 174246586) is (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine.
What is the SMILES notation for (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine?
The canonical SMILES for (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine is [H]/N=C/C(CC(/C=C\C(=C)C)=C(\C)CC)C(C)N.
What is the InChIKey of (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine?
The InChIKey is JQCBBATZPKLLIX-RTARCHSFSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-12(4)14(8-7-11(2)3)9-15(10-16)13(5)17/h7-8,10,13,15-16H,2,6,9,17H2,1,3-5H3/b8-7-,14-12+,16-10+.
What are the key properties of (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine?
(5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine has a molecular weight of 234.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine is sourced from PubChem (CID 174246586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).