5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine

C13H22N4 — CID 105420857

IUPAC5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NCC2(N(C)C)CCC2)c1
InChIInChI=1S/C13H22N4/c1-14-11-7-12(9-15-8-11)16-10-13(17(2)3)5-4-6-13/h7-9,14,16H,4-6,10H2,1-3H3
InChIKeyWVBJSJQCMMATFX-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.02
Rot. Bonds5

About 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine

5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine (PubChem CID 105420857) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine
PubChem CID105420857
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NCC2(N(C)C)CCC2)c1
InChIInChI=1S/C13H22N4/c1-14-11-7-12(9-15-8-11)16-10-13(17(2)3)5-4-6-13/h7-9,14,16H,4-6,10H2,1-3H3
InChIKeyWVBJSJQCMMATFX-UHFFFAOYSA-N
XLogP2.02
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,5-N-dimethylpyridine-3,5-diamine
CID 105420972
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine
CID 105420768
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,5-difluoropyridin-2-amine
CID 105419130
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-thiazole-3,5-diamine
CID 103365933
2-amino-4-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzenesulfonamide
CID 105413934
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,6-naphthyridin-8-amine
CID 91953407
3-N-methyl-5-N-(2-morpholin-4-ylethyl)pyridine-3,5-diamine
CID 104532718
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
CID 112676032
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine
CID 107268827
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972304
2,6-dichloro-1-N-[[1-(dimethylamino)cyclobutyl]methyl]benzene-1,4-diamine
CID 106890863

Frequently Asked Questions

What is the IUPAC name of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine (CID 105420857) is 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine is CNc1cncc(NCC2(N(C)C)CCC2)c1.
What is the InChIKey of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine?
The InChIKey is WVBJSJQCMMATFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-11-7-12(9-15-8-11)16-10-13(17(2)3)5-4-6-13/h7-9,14,16H,4-6,10H2,1-3H3.
What are the key properties of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine?
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 105420857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).