5-(2-methylpropyl)-2H-pyridine-2,5-diamine

C9H17N3 — CID 68835756

IUPAC5-(2-methylpropyl)-2H-pyridine-2,5-diamine
SMILESCC(C)CC1(N)C=CC(N)N=C1
InChIInChI=1S/C9H17N3/c1-7(2)5-9(11)4-3-8(10)12-6-9/h3-4,6-8H,5,10-11H2,1-2H3
InChIKeySFXNKERGTUBPDZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.66
Rot. Bonds2

About 5-(2-methylpropyl)-2H-pyridine-2,5-diamine

5-(2-methylpropyl)-2H-pyridine-2,5-diamine (PubChem CID 68835756) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2H-pyridine-2,5-diamine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2H-pyridine-2,5-diamine
PubChem CID68835756
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-(2-methylpropyl)-2H-pyridine-2,5-diamine
SMILESCC(C)CC1(N)C=CC(N)N=C1
InChIInChI=1S/C9H17N3/c1-7(2)5-9(11)4-3-8(10)12-6-9/h3-4,6-8H,5,10-11H2,1-2H3
InChIKeySFXNKERGTUBPDZ-UHFFFAOYSA-N
XLogP0.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(2-methylpropyl)-2H-pyridine-2,5-diamine?
The IUPAC name of 5-(2-methylpropyl)-2H-pyridine-2,5-diamine (CID 68835756) is 5-(2-methylpropyl)-2H-pyridine-2,5-diamine.
What is the SMILES notation for 5-(2-methylpropyl)-2H-pyridine-2,5-diamine?
The canonical SMILES for 5-(2-methylpropyl)-2H-pyridine-2,5-diamine is CC(C)CC1(N)C=CC(N)N=C1.
What is the InChIKey of 5-(2-methylpropyl)-2H-pyridine-2,5-diamine?
The InChIKey is SFXNKERGTUBPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)5-9(11)4-3-8(10)12-6-9/h3-4,6-8H,5,10-11H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2H-pyridine-2,5-diamine?
5-(2-methylpropyl)-2H-pyridine-2,5-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2H-pyridine-2,5-diamine is sourced from PubChem (CID 68835756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).