2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine

C13H22N4 — CID 105413965

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine
SMILESCc1nc(NCC2(N(C)C)CCC2)ccc1N
InChIInChI=1S/C13H22N4/c1-10-11(14)5-6-12(16-10)15-9-13(17(2)3)7-4-8-13/h5-6H,4,7-9,14H2,1-3H3,(H,15,16)
InChIKeyRCIQCQSKOIZJRT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.87
Rot. Bonds4

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine (PubChem CID 105413965) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine
PubChem CID105413965
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine
SMILESCc1nc(NCC2(N(C)C)CCC2)ccc1N
InChIInChI=1S/C13H22N4/c1-10-11(14)5-6-12(16-10)15-9-13(17(2)3)7-4-8-13/h5-6H,4,7-9,14H2,1-3H3,(H,15,16)
InChIKeyRCIQCQSKOIZJRT-UHFFFAOYSA-N
XLogP1.87
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine (CID 105413965) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine is Cc1nc(NCC2(N(C)C)CCC2)ccc1N.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine?
The InChIKey is RCIQCQSKOIZJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-11(14)5-6-12(16-10)15-9-13(17(2)3)7-4-8-13/h5-6H,4,7-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 105413965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).