N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine

C11H20F3N — CID 81384504

IUPACN-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
SMILESC[C@H](NCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3N/c1-9(10-5-3-2-4-6-10)15-8-7-11(12,13)14/h9-10,15H,2-8H2,1H3/t9-/m0/s1
InChIKeyPQTMUXBBAZKVHT-VIFPVBQESA-N
MW223.28 g/mol
LogP3.50
Rot. Bonds4

About N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine

N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 81384504) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID81384504
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC NameN-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
SMILESC[C@H](NCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3N/c1-9(10-5-3-2-4-6-10)15-8-7-11(12,13)14/h9-10,15H,2-8H2,1H3/t9-/m0/s1
InChIKeyPQTMUXBBAZKVHT-VIFPVBQESA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
(1R)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891285
(1S)-1-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891284
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-(2-chloroethyl)-1-cyclohexylethanamine;hydrochloride
CID 173240168

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine (CID 81384504) is N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine is C[C@H](NCCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is PQTMUXBBAZKVHT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20F3N/c1-9(10-5-3-2-4-6-10)15-8-7-11(12,13)14/h9-10,15H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine?
N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 81384504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).