4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine

C13H22ClN3 — CID 114285848

IUPAC4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine
SMILESCCCCN(c1c(N)cncc1Cl)C(C)CC
InChIInChI=1S/C13H22ClN3/c1-4-6-7-17(10(3)5-2)13-11(14)8-16-9-12(13)15/h8-10H,4-7,15H2,1-3H3
InChIKeyQFRCTWXZCBDQAT-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.72
Rot. Bonds6

About 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine

4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine (PubChem CID 114285848) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine
PubChem CID114285848
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine
SMILESCCCCN(c1c(N)cncc1Cl)C(C)CC
InChIInChI=1S/C13H22ClN3/c1-4-6-7-17(10(3)5-2)13-11(14)8-16-9-12(13)15/h8-10H,4-7,15H2,1-3H3
InChIKeyQFRCTWXZCBDQAT-UHFFFAOYSA-N
XLogP3.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine (CID 114285848) is 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine is CCCCN(c1c(N)cncc1Cl)C(C)CC.
What is the InChIKey of 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine?
The InChIKey is QFRCTWXZCBDQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-6-7-17(10(3)5-2)13-11(14)8-16-9-12(13)15/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine?
4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine has a molecular weight of 255.79 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine is sourced from PubChem (CID 114285848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).