N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine

C13H19F2N3 — CID 112676032

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
SMILESCN(C)C1(CNc2ncc(F)cc2F)CCCC1
InChIInChI=1S/C13H19F2N3/c1-18(2)13(5-3-4-6-13)9-17-12-11(15)7-10(14)8-16-12/h7-8H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyOIQCYQWCTZMYJN-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.65
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine (PubChem CID 112676032) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
PubChem CID112676032
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
SMILESCN(C)C1(CNc2ncc(F)cc2F)CCCC1
InChIInChI=1S/C13H19F2N3/c1-18(2)13(5-3-4-6-13)9-17-12-11(15)7-10(14)8-16-12/h7-8H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyOIQCYQWCTZMYJN-UHFFFAOYSA-N
XLogP2.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine
CID 105419130
3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117150
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridin-2-amine
CID 83113071
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluorobenzene-1,2-diamine
CID 83116976
3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
CID 83112048
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide
CID 103940090
N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3,4,5,6-pentafluoroaniline
CID 83113024
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 105418908
1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 103776011
6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
CID 83113894
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine (CID 112676032) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine is CN(C)C1(CNc2ncc(F)cc2F)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine?
The InChIKey is OIQCYQWCTZMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-18(2)13(5-3-4-6-13)9-17-12-11(15)7-10(14)8-16-12/h7-8H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine has a molecular weight of 255.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112676032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).