1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine

C13H18F2N2 — CID 114224768

IUPAC1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine
SMILESNC(Cc1ccccn1)CC1CCC(F)(F)C1
InChIInChI=1S/C13H18F2N2/c14-13(15)5-4-10(9-13)7-11(16)8-12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9,16H2
InChIKeyCYYCBYHCCSWGGM-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.78
Rot. Bonds4

About 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine

1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine (PubChem CID 114224768) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine
PubChem CID114224768
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine
SMILESNC(Cc1ccccn1)CC1CCC(F)(F)C1
InChIInChI=1S/C13H18F2N2/c14-13(15)5-4-10(9-13)7-11(16)8-12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9,16H2
InChIKeyCYYCBYHCCSWGGM-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-2-amino-3-pyridin-2-ylpropyl]indene-1,3-dione
CID 139355512
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
1-(1-amino-2-pyridin-2-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 79074427
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
(1S)-1-(1-methylcyclopropyl)-2-pyridin-2-ylethanamine
CID 135132633
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
2-amino-3-pyridin-2-ylpropanal
CID 22556784
4-amino-5-pyridin-2-ylpentan-1-ol
CID 175131878
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine
CID 62718393

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine (CID 114224768) is 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine is NC(Cc1ccccn1)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine?
The InChIKey is CYYCBYHCCSWGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-13(15)5-4-10(9-13)7-11(16)8-12-3-1-2-6-17-12/h1-3,6,10-11H,4-5,7-9,16H2.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine?
1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine has a molecular weight of 240.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 114224768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).