(1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine

C19H33F5N2O — CID 146627180

IUPAC(1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine
SMILESCC(C)N[C@@H]1CCCC(CC(C)N[C@@H](C2CCOCC2)C(F)(F)F)C1(F)F
InChIInChI=1S/C19H33F5N2O/c1-12(2)25-16-6-4-5-15(18(16,20)21)11-13(3)26-17(19(22,23)24)14-7-9-27-10-8-14/h12-17,25-26H,4-11H2,1-3H3/t13?,15?,16-,17+/m1/s1
InChIKeyGWHRWVCUVNABLC-BNICSPFPSA-N
MW400.48 g/mol
LogP4.51
Rot. Bonds7

About (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine

(1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine (PubChem CID 146627180) has the molecular formula C19H33F5N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine
PubChem CID146627180
Molecular FormulaC19H33F5N2O
Molecular Weight400.48 g/mol
Exact Mass400.25
IUPAC Name(1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine
SMILESCC(C)N[C@@H]1CCCC(CC(C)N[C@@H](C2CCOCC2)C(F)(F)F)C1(F)F
InChIInChI=1S/C19H33F5N2O/c1-12(2)25-16-6-4-5-15(18(16,20)21)11-13(3)26-17(19(22,23)24)14-7-9-27-10-8-14/h12-17,25-26H,4-11H2,1-3H3/t13?,15?,16-,17+/m1/s1
InChIKeyGWHRWVCUVNABLC-BNICSPFPSA-N
XLogP4.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine?
The IUPAC name of (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine (CID 146627180) is (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine.
What is the SMILES notation for (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine?
The canonical SMILES for (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine is CC(C)N[C@@H]1CCCC(CC(C)N[C@@H](C2CCOCC2)C(F)(F)F)C1(F)F.
What is the InChIKey of (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine?
The InChIKey is GWHRWVCUVNABLC-BNICSPFPSA-N. The full InChI is InChI=1S/C19H33F5N2O/c1-12(2)25-16-6-4-5-15(18(16,20)21)11-13(3)26-17(19(22,23)24)14-7-9-27-10-8-14/h12-17,25-26H,4-11H2,1-3H3/t13?,15?,16-,17+/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine?
(1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine has a molecular weight of 400.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine is sourced from PubChem (CID 146627180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).