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

C10H19F2N — CID 102867843

IUPACN-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(C)C(F)F
InChIInChI=1S/C10H19F2N/c1-7-5-3-4-6-9(7)13-8(2)10(11)12/h7-10,13H,3-6H2,1-2H3
InChIKeyHZTCYBZMLQLBMX-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.81
Rot. Bonds3

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

N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 102867843) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine
PubChem CID102867843
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC(C)C(F)F
InChIInChI=1S/C10H19F2N/c1-7-5-3-4-6-9(7)13-8(2)10(11)12/h7-10,13H,3-6H2,1-2H3
InChIKeyHZTCYBZMLQLBMX-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
CID 102869994
N-(1,1-difluoropropan-2-yl)-2-ethylcyclohexan-1-amine
CID 102868581
[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
N-(1-cyclopentylethyl)-2-methylcyclohexan-1-amine
CID 62631533
N-(1-cyclopentylethyl)-2-methylcyclopentan-1-amine
CID 63277954
N-[(1R)-1-cyclohexylethyl]-2-methylcyclohexan-1-amine
CID 81384477
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283
N-[(1R)-1-cyclobutylethyl]-2-methylcyclopentan-1-amine
CID 130671622
2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine (CID 102867843) is N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine is CC1CCCCC1NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is HZTCYBZMLQLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-7-5-3-4-6-9(7)13-8(2)10(11)12/h7-10,13H,3-6H2,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine?
N-(1,1-difluoropropan-2-yl)-2-methylcyclohexan-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.81, 3 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-methylcyclohexan-1-amine is sourced from PubChem (CID 102867843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).