(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine

C10H18F3N — CID 104941345

IUPAC(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine
SMILESCC1CCC([C@@H](N)CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-7-2-4-8(5-3-7)9(14)6-10(11,12)13/h7-9H,2-6,14H2,1H3/t7?,8?,9-/m0/s1
InChIKeyGBQBQVITUIRXIM-HACHORDNSA-N
MW209.25 g/mol
LogP3.09
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine

(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine (PubChem CID 104941345) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine
PubChem CID104941345
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine
SMILESCC1CCC([C@@H](N)CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-7-2-4-8(5-3-7)9(14)6-10(11,12)13/h7-9H,2-6,14H2,1H3/t7?,8?,9-/m0/s1
InChIKeyGBQBQVITUIRXIM-HACHORDNSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclobutyl-3,3,3-trifluoropropan-1-amine
CID 55293378
1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215449
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64775854
4,4-dimethyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 63415730
1-cyclopropyl-4,4,4-trifluorobutan-1-amine
CID 64565355
1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79575191
(4-methylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105153876
N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine
CID 115346071
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
CID 162553460
amino-(4-methylcyclohexyl)methanol
CID 89201512

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine (CID 104941345) is (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine is CC1CCC([C@@H](N)CC(F)(F)F)CC1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine?
The InChIKey is GBQBQVITUIRXIM-HACHORDNSA-N. The full InChI is InChI=1S/C10H18F3N/c1-7-2-4-8(5-3-7)9(14)6-10(11,12)13/h7-9H,2-6,14H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine is sourced from PubChem (CID 104941345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).