N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine

C15H24FN — CID 166728327

IUPACN-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine
SMILESC/C=C\C1CC(F)C(NC2CC2)=CC1CCC
InChIInChI=1S/C15H24FN/c1-3-5-11-9-14(16)15(17-13-7-8-13)10-12(11)6-4-2/h3,5,10-14,17H,4,6-9H2,1-2H3/b5-3-
InChIKeyWXWSSRHVZXBCSG-HYXAFXHYSA-N
MW237.36 g/mol
LogP3.97
Rot. Bonds5

About N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine

N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine (PubChem CID 166728327) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine
PubChem CID166728327
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine
SMILESC/C=C\C1CC(F)C(NC2CC2)=CC1CCC
InChIInChI=1S/C15H24FN/c1-3-5-11-9-14(16)15(17-13-7-8-13)10-12(11)6-4-2/h3,5,10-14,17H,4,6-9H2,1-2H3/b5-3-
InChIKeyWXWSSRHVZXBCSG-HYXAFXHYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
(4S)-4-fluoro-5-methyl-N-(2-methylcyclopenten-1-yl)cyclohex-2-en-1-amine
CID 118616262
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
(1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine
CID 137410330
(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
CID 145350547
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
CID 155204879
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
CID 174095620

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine?
The IUPAC name of N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine (CID 166728327) is N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine.
What is the SMILES notation for N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine?
The canonical SMILES for N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine is C/C=C\C1CC(F)C(NC2CC2)=CC1CCC.
What is the InChIKey of N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine?
The InChIKey is WXWSSRHVZXBCSG-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-5-11-9-14(16)15(17-13-7-8-13)10-12(11)6-4-2/h3,5,10-14,17H,4,6-9H2,1-2H3/b5-3-.
What are the key properties of N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine?
N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine is sourced from PubChem (CID 166728327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).