4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine

C9H17F2N — CID 105436988

IUPAC4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine
SMILESCNC(C)CC(F)(F)C1CCC1
InChIInChI=1S/C9H17F2N/c1-7(12-2)6-9(10,11)8-4-3-5-8/h7-8,12H,3-6H2,1-2H3
InChIKeyDCJUDCGWNINLQX-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds4

About 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine

4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine (PubChem CID 105436988) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine
PubChem CID105436988
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine
SMILESCNC(C)CC(F)(F)C1CCC1
InChIInChI=1S/C9H17F2N/c1-7(12-2)6-9(10,11)8-4-3-5-8/h7-8,12H,3-6H2,1-2H3
InChIKeyDCJUDCGWNINLQX-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-N,5,5-trimethylhexan-2-amine
CID 105438278
3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine
CID 105436986
2-cyclobutyl-N,3-dimethylpentan-2-amine
CID 155373866
2-cyclobutyl-2,2-difluoroethanesulfonyl chloride
CID 105473384
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
2-cyclobutyl-2-fluoro-N-methylpropan-1-amine
CID 105428809
N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105177137
N-(2-cyclobutylethyl)-4,4,4-trifluorobutan-2-amine
CID 115893436
1-(3-fluorocyclohexyl)-N-methylpropan-2-amine
CID 84732027
N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine
CID 142528808
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
(4S)-2-N,4-N,2-trimethylpentane-2,4-diamine
CID 98041220

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine?
The IUPAC name of 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine (CID 105436988) is 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine.
What is the SMILES notation for 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine?
The canonical SMILES for 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine is CNC(C)CC(F)(F)C1CCC1.
What is the InChIKey of 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine?
The InChIKey is DCJUDCGWNINLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(12-2)6-9(10,11)8-4-3-5-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine?
4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine is sourced from PubChem (CID 105436988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).