(Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine

C19H29N — CID 146288674

IUPAC(Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine
SMILES[H]/N=C/C(=C)/C(=C\C(CCCC(C)C)=C(\C)C=C)CC=C
InChIInChI=1S/C19H29N/c1-7-10-18(17(6)14-20)13-19(16(5)8-2)12-9-11-15(3)4/h7-8,13-15,20H,1-2,6,9-12H2,3-5H3/b18-13-,19-16-,20-14+
InChIKeyILKKJFFLSFHHBH-AKLNESKVSA-N
MW271.45 g/mol
LogP6.02
Rot. Bonds10

About (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine

(Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine (PubChem CID 146288674) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine.

Molecular Properties

Compound Name(Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine
PubChem CID146288674
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine
SMILES[H]/N=C/C(=C)/C(=C\C(CCCC(C)C)=C(\C)C=C)CC=C
InChIInChI=1S/C19H29N/c1-7-10-18(17(6)14-20)13-19(16(5)8-2)12-9-11-15(3)4/h7-8,13-15,20H,1-2,6,9-12H2,3-5H3/b18-13-,19-16-,20-14+
InChIKeyILKKJFFLSFHHBH-AKLNESKVSA-N
XLogP6.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine?
The IUPAC name of (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine (CID 146288674) is (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine.
What is the SMILES notation for (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine?
The canonical SMILES for (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine is [H]/N=C/C(=C)/C(=C\C(CCCC(C)C)=C(\C)C=C)CC=C.
What is the InChIKey of (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine?
The InChIKey is ILKKJFFLSFHHBH-AKLNESKVSA-N. The full InChI is InChI=1S/C19H29N/c1-7-10-18(17(6)14-20)13-19(16(5)8-2)12-9-11-15(3)4/h7-8,13-15,20H,1-2,6,9-12H2,3-5H3/b18-13-,19-16-,20-14+.
What are the key properties of (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine?
(Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine has a molecular weight of 271.45 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-5-but-3-en-2-ylidene-9-methyl-2-methylidene-3-prop-2-enyldec-3-en-1-imine is sourced from PubChem (CID 146288674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).