(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine

C17H32FN — CID 170616648

IUPAC(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
SMILESC/C=C/C(C)(F)/C(C)=N/[C@H](CCC(C)C)CC(C)C
InChIInChI=1S/C17H32FN/c1-8-11-17(7,18)15(6)19-16(12-14(4)5)10-9-13(2)3/h8,11,13-14,16H,9-10,12H2,1-7H3/b11-8+,19-15+/t16-,17?/m1/s1
InChIKeyLOAUFWZYEAJGMD-KTHXFOCHSA-N
MW269.45 g/mol
LogP5.60
Rot. Bonds8

About (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine

(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine (PubChem CID 170616648) has the molecular formula C17H32FN and a molecular weight of 269.45 g/mol. Its IUPAC name is (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine.

Molecular Properties

Compound Name(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
PubChem CID170616648
Molecular FormulaC17H32FN
Molecular Weight269.45 g/mol
Exact Mass269.25
IUPAC Name(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
SMILESC/C=C/C(C)(F)/C(C)=N/[C@H](CCC(C)C)CC(C)C
InChIInChI=1S/C17H32FN/c1-8-11-17(7,18)15(6)19-16(12-14(4)5)10-9-13(2)3/h8,11,13-14,16H,9-10,12H2,1-7H3/b11-8+,19-15+/t16-,17?/m1/s1
InChIKeyLOAUFWZYEAJGMD-KTHXFOCHSA-N
XLogP5.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
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5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
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(2S)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-propan-2-yl-3,4-dihydro-2H-pyrrole
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(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine
CID 162565601
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine?
The IUPAC name of (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine (CID 170616648) is (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine.
What is the SMILES notation for (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine?
The canonical SMILES for (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine is C/C=C/C(C)(F)/C(C)=N/[C@H](CCC(C)C)CC(C)C.
What is the InChIKey of (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine?
The InChIKey is LOAUFWZYEAJGMD-KTHXFOCHSA-N. The full InChI is InChI=1S/C17H32FN/c1-8-11-17(7,18)15(6)19-16(12-14(4)5)10-9-13(2)3/h8,11,13-14,16H,9-10,12H2,1-7H3/b11-8+,19-15+/t16-,17?/m1/s1.
What are the key properties of (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine?
(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine has a molecular weight of 269.45 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine is sourced from PubChem (CID 170616648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).