2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine

C9H17F2N — CID 130736613

IUPAC2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine
SMILESCC(C)CNC1CCCC1(F)F
InChIInChI=1S/C9H17F2N/c1-7(2)6-12-8-4-3-5-9(8,10)11/h7-8,12H,3-6H2,1-2H3
InChIKeyUXYGUVBGKAOPFD-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds3

About 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine

2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine (PubChem CID 130736613) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine
PubChem CID130736613
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine
SMILESCC(C)CNC1CCCC1(F)F
InChIInChI=1S/C9H17F2N/c1-7(2)6-12-8-4-3-5-9(8,10)11/h7-8,12H,3-6H2,1-2H3
InChIKeyUXYGUVBGKAOPFD-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine
CID 131014891
N-(2,2-difluoroethyl)-2,2-difluorocyclohexan-1-amine
CID 130987506
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-(2,2-difluorocyclopentyl)-2-hydroxypropanamide
CID 131131943
4-[(2,2-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 79856763
N-(2-cyclopropylpropyl)-2,2-dimethylcyclopentan-1-amine
CID 115713968
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
N-(2,2-difluorocyclopentyl)butanamide
CID 127009453
(2S)-2-amino-N-(2,2-difluorocyclohexyl)propanamide
CID 130942417
1-N-(2,2-dimethylcyclopentyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 79864207
2,2-dimethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 79836799
2,2-dimethyl-N-(2-thiophen-3-ylpropyl)cyclopentan-1-amine
CID 115726200

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine?
The IUPAC name of 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine (CID 130736613) is 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine is CC(C)CNC1CCCC1(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine?
The InChIKey is UXYGUVBGKAOPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)6-12-8-4-3-5-9(8,10)11/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine?
2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 130736613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).