6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine

C16H20ClN3 — CID 80794389

IUPAC6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-3-11-18-15-5-4-6-16(19-15)20(2)12-13-7-9-14(17)10-8-13/h4-10H,3,11-12H2,1-2H3,(H,18,19)
InChIKeyIHEIHQOZGAHDBP-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.19
Rot. Bonds6

About 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine

6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine (PubChem CID 80794389) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine
PubChem CID80794389
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-3-11-18-15-5-4-6-16(19-15)20(2)12-13-7-9-14(17)10-8-13/h4-10H,3,11-12H2,1-2H3,(H,18,19)
InChIKeyIHEIHQOZGAHDBP-UHFFFAOYSA-N
XLogP4.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62289425
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80753536
6-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80839586
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80794812
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
CID 80887449
6-[(4-chlorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589054
3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 80856494
6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
CID 80755878
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
CID 80797618
2-[cyanomethyl-[6-(propylamino)-2-pyridinyl]amino]acetonitrile
CID 80753646
6-N-propan-2-yl-2-N,6-N-dipropylpyridine-2,6-diamine
CID 80775315

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine (CID 80794389) is 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(N(C)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The InChIKey is IHEIHQOZGAHDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-3-11-18-15-5-4-6-16(19-15)20(2)12-13-7-9-14(17)10-8-13/h4-10H,3,11-12H2,1-2H3,(H,18,19).
What are the key properties of 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine?
6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine has a molecular weight of 289.81 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80794389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).