3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine

C13H20FN — CID 129045776

IUPAC3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(C)CC(F)CC1CC=CCC1
InChIInChI=1S/C13H20FN/c1-3-9-15(2)11-13(14)10-12-7-5-4-6-8-12/h1,4-5,12-13H,6-11H2,2H3
InChIKeyJMFIZDVJPNZPPN-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.64
Rot. Bonds5

About 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine

3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine (PubChem CID 129045776) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine
PubChem CID129045776
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(C)CC(F)CC1CC=CCC1
InChIInChI=1S/C13H20FN/c1-3-9-15(2)11-13(14)10-12-7-5-4-6-8-12/h1,4-5,12-13H,6-11H2,2H3
InChIKeyJMFIZDVJPNZPPN-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-methylamine, N-methyl-N-2-propynyl-
CID 202797
5-Norbornene-2-methylamine, N-methyl-N-2-propynyl-
CID 204475
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
4-(2-fluorocyclohex-3-en-1-yl)-N-methyl-N-propylbutan-2-amine
CID 89985334
N-[[(1R)-2-fluorocyclohex-3-en-1-yl]methyl]-N-methyl-2-[(4S)-4-methylcyclohex-2-en-1-yl]ethanamine
CID 118312653
(1R,2R)-1-fluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-N-prop-2-ynylpropan-2-amine
CID 130217155
(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine
CID 134365806
3-[(3E,5Z)-3,7-difluorohepta-3,5-dienyl]-1-methylpiperidine
CID 144302448
1-(4-fluorocyclohex-3-en-1-yl)-N,N-dimethylmethanamine
CID 166533144

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine (CID 129045776) is 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine is C#CCN(C)CC(F)CC1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine?
The InChIKey is JMFIZDVJPNZPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-9-15(2)11-13(14)10-12-7-5-4-6-8-12/h1,4-5,12-13H,6-11H2,2H3.
What are the key properties of 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine?
3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-2-fluoro-N-methyl-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 129045776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).