(5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine

C13H22FN — CID 144692129

IUPAC(5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine
SMILESC=C/C=C(F)\C=C/CC(CC)CCNC
InChIInChI=1S/C13H22FN/c1-4-7-13(14)9-6-8-12(5-2)10-11-15-3/h4,6-7,9,12,15H,1,5,8,10-11H2,2-3H3/b9-6-,13-7+
InChIKeyPRYQOLUVAFTADZ-XGLIJBRHSA-N
MW211.32 g/mol
LogP3.61
Rot. Bonds8

About (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine

(5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine (PubChem CID 144692129) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine.

Molecular Properties

Compound Name(5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine
PubChem CID144692129
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name(5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine
SMILESC=C/C=C(F)\C=C/CC(CC)CCNC
InChIInChI=1S/C13H22FN/c1-4-7-13(14)9-6-8-12(5-2)10-11-15-3/h4,6-7,9,12,15H,1,5,8,10-11H2,2-3H3/b9-6-,13-7+
InChIKeyPRYQOLUVAFTADZ-XGLIJBRHSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(Cyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 12109886
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 89939516
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730
(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine
CID 121336104
3-but-3-en-2-yl-N-but-1-ynyl-6-fluorohepta-3,5-dien-1-amine
CID 123226446
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine?
The IUPAC name of (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine (CID 144692129) is (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine.
What is the SMILES notation for (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine?
The canonical SMILES for (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine is C=C/C=C(F)\C=C/CC(CC)CCNC.
What is the InChIKey of (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine?
The InChIKey is PRYQOLUVAFTADZ-XGLIJBRHSA-N. The full InChI is InChI=1S/C13H22FN/c1-4-7-13(14)9-6-8-12(5-2)10-11-15-3/h4,6-7,9,12,15H,1,5,8,10-11H2,2-3H3/b9-6-,13-7+.
What are the key properties of (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine?
(5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine has a molecular weight of 211.32 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-3-ethyl-7-fluoro-N-methyldeca-5,7,9-trien-1-amine is sourced from PubChem (CID 144692129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).