(Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine

C18H27N — CID 146288585

IUPAC(Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine
SMILES[H]/N=C/C(=C)/C(=C\C(=C/C=C)CCCC(C)C)CC=C
InChIInChI=1S/C18H27N/c1-6-9-17(12-8-11-15(3)4)13-18(10-7-2)16(5)14-19/h6-7,9,13-15,19H,1-2,5,8,10-12H2,3-4H3/b17-9-,18-13-,19-14+
InChIKeyZRZUXZGMHUCHNR-ZYFYZUFSSA-N
MW257.42 g/mol
LogP5.63
Rot. Bonds10

About (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine

(Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine (PubChem CID 146288585) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine.

Molecular Properties

Compound Name(Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine
PubChem CID146288585
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine
SMILES[H]/N=C/C(=C)/C(=C\C(=C/C=C)CCCC(C)C)CC=C
InChIInChI=1S/C18H27N/c1-6-9-17(12-8-11-15(3)4)13-18(10-7-2)16(5)14-19/h6-7,9,13-15,19H,1-2,5,8,10-12H2,3-4H3/b17-9-,18-13-,19-14+
InChIKeyZRZUXZGMHUCHNR-ZYFYZUFSSA-N
XLogP5.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.63
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)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine?
The IUPAC name of (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine (CID 146288585) is (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine.
What is the SMILES notation for (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine?
The canonical SMILES for (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine is [H]/N=C/C(=C)/C(=C\C(=C/C=C)CCCC(C)C)CC=C.
What is the InChIKey of (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine?
The InChIKey is ZRZUXZGMHUCHNR-ZYFYZUFSSA-N. The full InChI is InChI=1S/C18H27N/c1-6-9-17(12-8-11-15(3)4)13-18(10-7-2)16(5)14-19/h6-7,9,13-15,19H,1-2,5,8,10-12H2,3-4H3/b17-9-,18-13-,19-14+.
What are the key properties of (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine?
(Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine has a molecular weight of 257.42 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-9-methyl-2-methylidene-3-prop-2-enyl-5-prop-2-enylidenedec-3-en-1-imine is sourced from PubChem (CID 146288585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).