6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine

C16H28N4 — CID 107165478

IUPAC6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCC2(C)CCN(C)CC2)n1
InChIInChI=1S/C16H28N4/c1-4-10-17-14-6-5-7-15(19-14)18-13-16(2)8-11-20(3)12-9-16/h5-7H,4,8-13H2,1-3H3,(H2,17,18,19)
InChIKeyIPDAYPNJKIULBH-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.05
Rot. Bonds6

About 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine

6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 107165478) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
PubChem CID107165478
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCC2(C)CCN(C)CC2)n1
InChIInChI=1S/C16H28N4/c1-4-10-17-14-6-5-7-15(19-14)18-13-16(2)8-11-20(3)12-9-16/h5-7H,4,8-13H2,1-3H3,(H2,17,18,19)
InChIKeyIPDAYPNJKIULBH-UHFFFAOYSA-N
XLogP3.05
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
CID 80766785
6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80854388
2-N-propyl-6-N-(2-thiomorpholin-4-ylethyl)pyridine-2,6-diamine
CID 106327485
6-bromo-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143626
(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 81109407
N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 107164291
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 103989884
6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 107164897
6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164229
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 103989880

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine (CID 107165478) is 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCC2(C)CCN(C)CC2)n1.
What is the InChIKey of 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is IPDAYPNJKIULBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-10-17-14-6-5-7-15(19-14)18-13-16(2)8-11-20(3)12-9-16/h5-7H,4,8-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine?
6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 107165478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).