5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine

C13H22ClN3 — CID 62890773

IUPAC5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN(C)CCC)n1
InChIInChI=1S/C13H22ClN3/c1-4-8-15-13-7-6-11(14)12(16-13)10-17(3)9-5-2/h6-7H,4-5,8-10H2,1-3H3,(H,15,16)
InChIKeyREXCQQNNMXGGKK-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds7

About 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine

5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62890773) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62890773
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN(C)CCC)n1
InChIInChI=1S/C13H22ClN3/c1-4-8-15-13-7-6-11(14)12(16-13)10-17(3)9-5-2/h6-7H,4-5,8-10H2,1-3H3,(H,15,16)
InChIKeyREXCQQNNMXGGKK-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[[methyl(2-methylsulfanylethyl)amino]methyl]-N-propylpyridin-2-amine
CID 112664254
2-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,N-dimethylacetamide
CID 62890423
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62892236
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891819
5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891483
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106917976
5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
5-chloro-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 62890602
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-ethylamino]propanenitrile
CID 62890808
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62890809
5-chloro-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 82743738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine (CID 62890773) is 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CN(C)CCC)n1.
What is the InChIKey of 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is REXCQQNNMXGGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-8-15-13-7-6-11(14)12(16-13)10-17(3)9-5-2/h6-7H,4-5,8-10H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine?
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62890773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).