6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine

C10H16N4 — CID 130608285

IUPAC6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine
SMILESC=C(CC)CNc1ccc(N)c(N)n1
InChIInChI=1S/C10H16N4/c1-3-7(2)6-13-9-5-4-8(11)10(12)14-9/h4-5H,2-3,6,11H2,1H3,(H3,12,13,14)
InChIKeyDLDGTKRMMIPIMI-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.62
Rot. Bonds4

About 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine

6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine (PubChem CID 130608285) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine
PubChem CID130608285
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine
SMILESC=C(CC)CNc1ccc(N)c(N)n1
InChIInChI=1S/C10H16N4/c1-3-7(2)6-13-9-5-4-8(11)10(12)14-9/h4-5H,2-3,6,11H2,1H3,(H3,12,13,14)
InChIKeyDLDGTKRMMIPIMI-UHFFFAOYSA-N
XLogP1.62
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine (CID 130608285) is 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine is C=C(CC)CNc1ccc(N)c(N)n1.
What is the InChIKey of 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine?
The InChIKey is DLDGTKRMMIPIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-7(2)6-13-9-5-4-8(11)10(12)14-9/h4-5H,2-3,6,11H2,1H3,(H3,12,13,14).
What are the key properties of 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine?
6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine has a molecular weight of 192.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylidenebutyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 130608285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).