(Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine

C19H36FN — CID 167296061

IUPAC(Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine
SMILESC/C=C(/C=C(\NC)C(C)(F)CCC)C(C(C)C)C(C)CC
InChIInChI=1S/C19H36FN/c1-9-12-19(7,20)17(21-8)13-16(11-3)18(14(4)5)15(6)10-2/h11,13-15,18,21H,9-10,12H2,1-8H3/b16-11-,17-13-
InChIKeyOLPFNORRHFCERR-VHSABMJYSA-N
MW297.50 g/mol
LogP5.88
Rot. Bonds9

About (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine

(Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine (PubChem CID 167296061) has the molecular formula C19H36FN and a molecular weight of 297.50 g/mol. Its IUPAC name is (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine.

Molecular Properties

Compound Name(Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine
PubChem CID167296061
Molecular FormulaC19H36FN
Molecular Weight297.50 g/mol
Exact Mass297.28
IUPAC Name(Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine
SMILESC/C=C(/C=C(\NC)C(C)(F)CCC)C(C(C)C)C(C)CC
InChIInChI=1S/C19H36FN/c1-9-12-19(7,20)17(21-8)13-16(11-3)18(14(4)5)15(6)10-2/h11,13-15,18,21H,9-10,12H2,1-8H3/b16-11-,17-13-
InChIKeyOLPFNORRHFCERR-VHSABMJYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.50
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine with MolForge

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
(7E)-6-ethyl-8-[(1E,4E)-3-ethyl-5-methylocta-1,4-dienyl]-7-(1-fluoroethenyl)-1,2,3,4,5,6-hexahydroazocine
CID 139423605
(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
CID 145350547
N-[1-[4-[(E)-but-2-en-2-yl]cyclohexa-1,3-dien-1-yl]ethenyl]-2-ethyl-4-fluoro-4-methylpentan-1-amine
CID 146578963
(3E,5Z)-N-(2-fluoro-2-methylpropyl)-3,9-dimethyl-6-prop-1-en-2-yldodeca-1,3,5-trien-2-amine
CID 155002025
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
(3Z,5E,7E)-5-ethylidene-2,2-difluoro-9-methyl-6-methylidene-8-[(1E,7Z)-4-methyl-3-[(Z)-4-(methylamino)but-1-enyl]-6-methylidenecycloocta-1,7-dien-1-yl]deca-3,7,9-trien-3-amine
CID 166656535
(3Z,8E,10Z)-5,5-diethyl-8-fluoro-N,4,7,9-tetramethyl-3-propan-2-yl-10-propylidenetetradeca-1,3,8-trien-2-amine
CID 166907353
(2Z,4E)-N-(3,4-dimethylhex-1-en-2-yl)-2-ethyl-4-fluorohepta-2,4-dien-6-yn-1-amine
CID 167063172
N-[(E)-3-[4-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]-2-methylprop-1-enyl]-3-methylhept-1-en-2-amine
CID 169620930
(6R)-4-fluoro-N,2,6-trimethylcyclohepta-1,3-dien-1-amine
CID 173750194
(5Z)-4-[(3Z,5Z)-3,4-difluoro-2-methylidenehepta-3,5-dienyl]-7-N-[(3Z)-6-fluorohexa-1,3-dien-2-yl]-1-N,5-dimethyl-6-prop-1-en-2-ylocta-5,7-diene-1,7-diamine
CID 173958548

Frequently Asked Questions

What is the IUPAC name of (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine?
The IUPAC name of (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine (CID 167296061) is (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine.
What is the SMILES notation for (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine?
The canonical SMILES for (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine is C/C=C(/C=C(\NC)C(C)(F)CCC)C(C(C)C)C(C)CC.
What is the InChIKey of (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine?
The InChIKey is OLPFNORRHFCERR-VHSABMJYSA-N. The full InChI is InChI=1S/C19H36FN/c1-9-12-19(7,20)17(21-8)13-16(11-3)18(14(4)5)15(6)10-2/h11,13-15,18,21H,9-10,12H2,1-8H3/b16-11-,17-13-.
What are the key properties of (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine?
(Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine has a molecular weight of 297.50 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7E)-7-ethylidene-4-fluoro-N,4,9-trimethyl-8-propan-2-ylundec-5-en-5-amine is sourced from PubChem (CID 167296061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).