N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine

C11H21F2N — CID 102868581

IUPACN-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NC(C)C(F)F
InChIInChI=1S/C11H21F2N/c1-3-9-6-4-5-7-10(9)14-8(2)11(12)13/h8-11,14H,3-7H2,1-2H3
InChIKeyUEXBJZIRLLLLEQ-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.20
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine

N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine (PubChem CID 102868581) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine
PubChem CID102868581
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NC(C)C(F)F
InChIInChI=1S/C11H21F2N/c1-3-9-6-4-5-7-10(9)14-8(2)11(12)13/h8-11,14H,3-7H2,1-2H3
InChIKeyUEXBJZIRLLLLEQ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
N-[(1S)-1-cyclopentylethyl]-2-ethylcyclohexan-1-amine
CID 81386660
N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine
CID 102867843
2-ethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 21355496
3-[(2-ethylcyclohexyl)amino]-2-methylsulfanylbutan-1-ol
CID 115997463
2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
CID 102869994
2-[[(1R,2R)-2-ethylcyclohexyl]amino]propane-1,3-diol
CID 96980456
2-[(2-ethylcyclohexyl)amino]-N'-hydroxypropanimidamide
CID 77031616
N-(1-cyclopropylbutan-2-yl)-2-ethylcyclohexan-1-amine
CID 63995128
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
2-[(2-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 61467050
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine (CID 102868581) is N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine is CCC1CCCCC1NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine?
The InChIKey is UEXBJZIRLLLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-3-9-6-4-5-7-10(9)14-8(2)11(12)13/h8-11,14H,3-7H2,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine?
N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 102868581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).