5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine

C9H14ClN3 — CID 130520393

IUPAC5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine
SMILESCCCN(C)c1c(N)cncc1Cl
InChIInChI=1S/C9H14ClN3/c1-3-4-13(2)9-7(10)5-12-6-8(9)11/h5-6H,3-4,11H2,1-2H3
InChIKeyFGRNKKPSDCCCDL-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.16
Rot. Bonds3

About 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine

5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine (PubChem CID 130520393) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine
PubChem CID130520393
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine
SMILESCCCN(C)c1c(N)cncc1Cl
InChIInChI=1S/C9H14ClN3/c1-3-4-13(2)9-7(10)5-12-6-8(9)11/h5-6H,3-4,11H2,1-2H3
InChIKeyFGRNKKPSDCCCDL-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine?
The IUPAC name of 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine (CID 130520393) is 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine is CCCN(C)c1c(N)cncc1Cl.
What is the InChIKey of 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine?
The InChIKey is FGRNKKPSDCCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-4-13(2)9-7(10)5-12-6-8(9)11/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine?
5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine has a molecular weight of 199.69 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-4-N-propylpyridine-3,4-diamine is sourced from PubChem (CID 130520393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).