3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine

C10H17N3 — CID 104539778

IUPAC3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
SMILESCC(C)C(C)Nc1cccnc1N
InChIInChI=1S/C10H17N3/c1-7(2)8(3)13-9-5-4-6-12-10(9)11/h4-8,13H,1-3H3,(H2,11,12)
InChIKeyHSKJNAQLXNTHJI-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.12
Rot. Bonds3

About 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine

3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine (PubChem CID 104539778) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
PubChem CID104539778
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
SMILESCC(C)C(C)Nc1cccnc1N
InChIInChI=1S/C10H17N3/c1-7(2)8(3)13-9-5-4-6-12-10(9)11/h4-8,13H,1-3H3,(H2,11,12)
InChIKeyHSKJNAQLXNTHJI-UHFFFAOYSA-N
XLogP2.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyridine
CID 10439
2-Amino-4-methylpyridine
CID 1533
N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
1-(2-Pyridyl)piperazine
CID 94459
N-2-Pyridylaniline
CID 81130
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
2-Pyridinamine, N-methyl-
CID 20727
Urea, 1-cyclohexyl-3-(2-pyridyl)-2-thio-
CID 721803
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine (CID 104539778) is 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine is CC(C)C(C)Nc1cccnc1N.
What is the InChIKey of 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine?
The InChIKey is HSKJNAQLXNTHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)8(3)13-9-5-4-6-12-10(9)11/h4-8,13H,1-3H3,(H2,11,12).
What are the key properties of 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine?
3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine has a molecular weight of 179.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 104539778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).