(2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine

C17H28FN — CID 162388071

IUPAC(2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine
SMILESC=C/C=C(\C=C)CC/C=C(/F)CNCCCCCC
InChIInChI=1S/C17H28FN/c1-4-7-8-9-14-19-15-17(18)13-10-12-16(6-3)11-5-2/h5-6,11,13,19H,2-4,7-10,12,14-15H2,1H3/b16-11+,17-13+
InChIKeyVOXZFZQIBSPQAU-IUBLYSDUSA-N
MW265.42 g/mol
LogP5.09
Rot. Bonds12

About (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine

(2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine (PubChem CID 162388071) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine.

Molecular Properties

Compound Name(2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine
PubChem CID162388071
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name(2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine
SMILESC=C/C=C(\C=C)CC/C=C(/F)CNCCCCCC
InChIInChI=1S/C17H28FN/c1-4-7-8-9-14-19-15-17(18)13-10-12-16(6-3)11-5-2/h5-6,11,13,19H,2-4,7-10,12,14-15H2,1H3/b16-11+,17-13+
InChIKeyVOXZFZQIBSPQAU-IUBLYSDUSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-methyl-3-methylidene-N-[1-(6-propylcyclohexa-1,5-dien-1-yl)ethenyl]hepta-4,6-dien-1-amine
CID 134223126
(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(1R)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 89293523
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine
CID 121336104
3-ethyl-6-fluoro-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-4-en-1-amine
CID 123272222
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
2-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123678062
2-(4-fluorocyclohexa-1,3-dien-1-yl)-2,5-dihydro-1H-pyrrole
CID 123702371

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine?
The IUPAC name of (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine (CID 162388071) is (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine.
What is the SMILES notation for (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine?
The canonical SMILES for (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine is C=C/C=C(\C=C)CC/C=C(/F)CNCCCCCC.
What is the InChIKey of (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine?
The InChIKey is VOXZFZQIBSPQAU-IUBLYSDUSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-7-8-9-14-19-15-17(18)13-10-12-16(6-3)11-5-2/h5-6,11,13,19H,2-4,7-10,12,14-15H2,1H3/b16-11+,17-13+.
What are the key properties of (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine?
(2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine has a molecular weight of 265.42 g/mol, XLogP of 5.09, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-6-ethenyl-2-fluoro-N-hexylnona-2,6,8-trien-1-amine is sourced from PubChem (CID 162388071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).