(5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine

C19H30FN — CID 134447633

IUPAC(5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine
SMILESC=C(N)C(CC)C/C(=C(C)/C(C)=C(C)\C(F)=C/C)C1CC1
InChIInChI=1S/C19H30FN/c1-7-16(15(6)21)11-18(17-9-10-17)13(4)12(3)14(5)19(20)8-2/h8,16-17H,6-7,9-11,21H2,1-5H3/b14-12-,18-13-,19-8+
InChIKeyZKLMRIPVPYOMAD-IOWVCWSFSA-N
MW291.45 g/mol
LogP5.81
Rot. Bonds7

About (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine

(5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine (PubChem CID 134447633) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine.

Molecular Properties

Compound Name(5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine
PubChem CID134447633
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name(5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine
SMILESC=C(N)C(CC)C/C(=C(C)/C(C)=C(C)\C(F)=C/C)C1CC1
InChIInChI=1S/C19H30FN/c1-7-16(15(6)21)11-18(17-9-10-17)13(4)12(3)14(5)19(20)8-2/h8,16-17H,6-7,9-11,21H2,1-5H3/b14-12-,18-13-,19-8+
InChIKeyZKLMRIPVPYOMAD-IOWVCWSFSA-N
XLogP5.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine with MolForge

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Related Compounds

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CID 142833904
CID 146245333
CID 146245333
CID 146251037
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CID 163549652
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CID 167083081
CID 167083081
CID 173836423
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CID 142070751
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CID 143772221

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine?
The IUPAC name of (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine (CID 134447633) is (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine.
What is the SMILES notation for (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine?
The canonical SMILES for (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine is C=C(N)C(CC)C/C(=C(C)/C(C)=C(C)\C(F)=C/C)C1CC1.
What is the InChIKey of (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine?
The InChIKey is ZKLMRIPVPYOMAD-IOWVCWSFSA-N. The full InChI is InChI=1S/C19H30FN/c1-7-16(15(6)21)11-18(17-9-10-17)13(4)12(3)14(5)19(20)8-2/h8,16-17H,6-7,9-11,21H2,1-5H3/b14-12-,18-13-,19-8+.
What are the key properties of (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine?
(5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine has a molecular weight of 291.45 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine is sourced from PubChem (CID 134447633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).