(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine

C11H18FN — CID 177146356

IUPAC(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine
SMILESC/N=C(/C=C(\C)C(C)(C)F)C1CC1
InChIInChI=1S/C11H18FN/c1-8(11(2,3)12)7-10(13-4)9-5-6-9/h7,9H,5-6H2,1-4H3/b8-7+,13-10-
InChIKeyOTCCYFOXHNWFJG-JXQIQDKBSA-N
MW183.27 g/mol
LogP3.16
Rot. Bonds3

About (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine

(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine (PubChem CID 177146356) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine
PubChem CID177146356
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine
SMILESC/N=C(/C=C(\C)C(C)(C)F)C1CC1
InChIInChI=1S/C11H18FN/c1-8(11(2,3)12)7-10(13-4)9-5-6-9/h7,9H,5-6H2,1-4H3/b8-7+,13-10-
InChIKeyOTCCYFOXHNWFJG-JXQIQDKBSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-N,3-dimethylbut-2-en-1-imine
CID 126727739
(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
CID 142523799
(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 166896627
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929
(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine
CID 174292959
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
CID 178040100
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 169104905

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine?
The IUPAC name of (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine (CID 177146356) is (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine.
What is the SMILES notation for (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine?
The canonical SMILES for (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine is C/N=C(/C=C(\C)C(C)(C)F)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine?
The InChIKey is OTCCYFOXHNWFJG-JXQIQDKBSA-N. The full InChI is InChI=1S/C11H18FN/c1-8(11(2,3)12)7-10(13-4)9-5-6-9/h7,9H,5-6H2,1-4H3/b8-7+,13-10-.
What are the key properties of (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine?
(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine has a molecular weight of 183.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine is sourced from PubChem (CID 177146356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).