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

C12H17F2N3 — CID 105419130

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine
SMILESCN(C)C1(CNc2ncc(F)cc2F)CCC1
InChIInChI=1S/C12H17F2N3/c1-17(2)12(4-3-5-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyHUSKJVYJJRCMJQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.26
Rot. Bonds4

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

N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine (PubChem CID 105419130) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine
PubChem CID105419130
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine
SMILESCN(C)C1(CNc2ncc(F)cc2F)CCC1
InChIInChI=1S/C12H17F2N3/c1-17(2)12(4-3-5-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyHUSKJVYJJRCMJQ-UHFFFAOYSA-N
XLogP2.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676032
3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117150
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridin-2-amine
CID 83113071
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 105418908
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
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
3,5-difluoro-N-[(2-methylcyclopentyl)methyl]pyridin-2-amine
CID 107419343
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine
CID 105420857
3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 112675837

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine (CID 105419130) is N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine is CN(C)C1(CNc2ncc(F)cc2F)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine?
The InChIKey is HUSKJVYJJRCMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-17(2)12(4-3-5-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine has a molecular weight of 241.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 105419130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).