3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine

C11H22N4 — CID 143837442

IUPAC3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine
SMILESCCCCN(C)c1cnccc1N.CN
InChIInChI=1S/C10H17N3.CH5N/c1-3-4-7-13(2)10-8-12-6-5-9(10)11;1-2/h5-6,8H,3-4,7H2,1-2H3,(H2,11,12);2H2,1H3
InChIKeyPGBWUEKZUBXOFY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds4

About 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine

3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine (PubChem CID 143837442) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine.

Molecular Properties

Compound Name3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine
PubChem CID143837442
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine
SMILESCCCCN(C)c1cnccc1N.CN
InChIInChI=1S/C10H17N3.CH5N/c1-3-4-7-13(2)10-8-12-6-5-9(10)11;1-2/h5-6,8H,3-4,7H2,1-2H3,(H2,11,12);2H2,1H3
InChIKeyPGBWUEKZUBXOFY-UHFFFAOYSA-N
XLogP1.48
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine?
The IUPAC name of 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine (CID 143837442) is 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine.
What is the SMILES notation for 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine?
The canonical SMILES for 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine is CCCCN(C)c1cnccc1N.CN.
What is the InChIKey of 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine?
The InChIKey is PGBWUEKZUBXOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.CH5N/c1-3-4-7-13(2)10-8-12-6-5-9(10)11;1-2/h5-6,8H,3-4,7H2,1-2H3,(H2,11,12);2H2,1H3.
What are the key properties of 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine?
3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine has a molecular weight of 210.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine is sourced from PubChem (CID 143837442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).