3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine

C10H17F2N — CID 178113943

IUPAC3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine
SMILESCC(C)C1CC=C(C(F)F)CC1N
InChIInChI=1S/C10H17F2N/c1-6(2)8-4-3-7(10(11)12)5-9(8)13/h3,6,8-10H,4-5,13H2,1-2H3
InChIKeyAMNKGYIDYAAPKN-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.57
Rot. Bonds2

About 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine

3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine (PubChem CID 178113943) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine
PubChem CID178113943
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine
SMILESCC(C)C1CC=C(C(F)F)CC1N
InChIInChI=1S/C10H17F2N/c1-6(2)8-4-3-7(10(11)12)5-9(8)13/h3,6,8-10H,4-5,13H2,1-2H3
InChIKeyAMNKGYIDYAAPKN-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.57
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

Menthenamine
CID 129691874
1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
CID 71008416
2-Methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89074090
(1R)-1-[(2R,5R)-2-fluoro-4,5-dimethylcyclohex-3-en-1-yl]ethanamine
CID 89318382
4-Ethyl-2-fluoro-5-methylcyclohex-3-en-1-amine
CID 89749912
4-[2-(3,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382272
4-[2-(4,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382274
1-(Cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine
CID 91802558
(1R,2S)-1-[(4R)-4-fluorocyclohexen-1-yl]-2,4-dimethylpentane-1,4-diamine
CID 118018657
3-[3-Tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine
CID 123175642
2,6-Diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)cyclohex-3-en-1-amine
CID 123409973
1-[5-(2,2,3,3-Tetrafluoropropyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 124095833

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine?
The IUPAC name of 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine (CID 178113943) is 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine.
What is the SMILES notation for 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine?
The canonical SMILES for 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine is CC(C)C1CC=C(C(F)F)CC1N.
What is the InChIKey of 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine?
The InChIKey is AMNKGYIDYAAPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-6(2)8-4-3-7(10(11)12)5-9(8)13/h3,6,8-10H,4-5,13H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine?
3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-propan-2-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 178113943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).