3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine

C9H17F2N — CID 105436986

IUPAC3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)C1CCCC1
InChIInChI=1S/C9H17F2N/c1-12-7-6-9(10,11)8-4-2-3-5-8/h8,12H,2-7H2,1H3
InChIKeyJJMMFRPMQRBECF-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds4

About 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine

3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine (PubChem CID 105436986) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine
PubChem CID105436986
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)C1CCCC1
InChIInChI=1S/C9H17F2N/c1-12-7-6-9(10,11)8-4-2-3-5-8/h8,12H,2-7H2,1H3
InChIKeyJJMMFRPMQRBECF-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

2-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 105431292
3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
CID 105435897
4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine
CID 105436988
2-cyclobutyl-2-fluoro-N-methylpropan-1-amine
CID 105428809
3-fluoro-N-methyl-3-(1-methylpyrrolidin-3-yl)butan-1-amine
CID 105443320
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
CID 75530738
3-cyclopropyl-3,3-difluoropropan-1-ol
CID 105427883
2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
(1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane
CID 67943908
(1,1-difluoro-3-isocyanatopropyl)cyclobutane
CID 84766804

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine (CID 105436986) is 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine is CNCCC(F)(F)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine?
The InChIKey is JJMMFRPMQRBECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-12-7-6-9(10,11)8-4-2-3-5-8/h8,12H,2-7H2,1H3.
What are the key properties of 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine?
3-cyclopentyl-3,3-difluoro-N-methylpropan-1-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 3-cyclopentyl-3,3-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 105436986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).