(7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine

C20H36FN — CID 170107629

IUPAC(7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine
SMILESC=C(C/C=C(\C=C/CCC(C)(F)CC)C(C)C)CCCCN
InChIInChI=1S/C20H36FN/c1-6-20(5,21)15-9-7-12-19(17(2)3)14-13-18(4)11-8-10-16-22/h7,12,14,17H,4,6,8-11,13,15-16,22H2,1-3,5H3/b12-7-,19-14+
InChIKeyVVEOKKNNKBLIGZ-RTECZVJVSA-N
MW309.51 g/mol
LogP6.12
Rot. Bonds12

About (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine

(7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine (PubChem CID 170107629) has the molecular formula C20H36FN and a molecular weight of 309.51 g/mol. Its IUPAC name is (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine.

Molecular Properties

Compound Name(7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine
PubChem CID170107629
Molecular FormulaC20H36FN
Molecular Weight309.51 g/mol
Exact Mass309.28
IUPAC Name(7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine
SMILESC=C(C/C=C(\C=C/CCC(C)(F)CC)C(C)C)CCCCN
InChIInChI=1S/C20H36FN/c1-6-20(5,21)15-9-7-12-19(17(2)3)14-13-18(4)11-8-10-16-22/h7,12,14,17H,4,6,8-11,13,15-16,22H2,1-3,5H3/b12-7-,19-14+
InChIKeyVVEOKKNNKBLIGZ-RTECZVJVSA-N
XLogP6.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.51
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine with MolForge

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Related Compounds

(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trien-1-amine
CID 445554
(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine
CID 89090365
2-[(2Z)-4-fluoro-2-propylidenecyclopentyl]ethanamine
CID 89215166
9-Fluoro-6-methylundeca-7,9-dien-3-amine
CID 91034943
(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine
CID 129267288
7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
CID 130243324
(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine
CID 130314599
1-Fluoro-3-[4-(2-methylbutyl)cyclohexa-1,5-dien-1-yl]pentan-2-amine
CID 134316413
1-Fluoro-3-[4-[2-(4-methylcycloheptyl)ethyl]cyclohexa-1,5-dien-1-yl]butan-2-amine
CID 134316538
(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine
CID 134365657
(Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine
CID 134389865
(5E,8E)-5-ethyl-8-fluoro-9,10-dimethylundeca-5,8,10-trien-1-amine
CID 134389898

Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine?
The IUPAC name of (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine (CID 170107629) is (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine.
What is the SMILES notation for (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine?
The canonical SMILES for (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine is C=C(C/C=C(\C=C/CCC(C)(F)CC)C(C)C)CCCCN.
What is the InChIKey of (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine?
The InChIKey is VVEOKKNNKBLIGZ-RTECZVJVSA-N. The full InChI is InChI=1S/C20H36FN/c1-6-20(5,21)15-9-7-12-19(17(2)3)14-13-18(4)11-8-10-16-22/h7,12,14,17H,4,6,8-11,13,15-16,22H2,1-3,5H3/b12-7-,19-14+.
What are the key properties of (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine?
(7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine has a molecular weight of 309.51 g/mol, XLogP of 6.12, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-13-fluoro-13-methyl-5-methylidene-8-propan-2-ylpentadeca-7,9-dien-1-amine is sourced from PubChem (CID 170107629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).