3-[amino(propan-2-yl)amino]pyridin-2-amine

C8H14N4 — CID 167189595

IUPAC3-[amino(propan-2-yl)amino]pyridin-2-amine
SMILESCC(C)N(N)c1cccnc1N
InChIInChI=1S/C8H14N4/c1-6(2)12(10)7-4-3-5-11-8(7)9/h3-6H,10H2,1-2H3,(H2,9,11)
InChIKeyTZZUYDLDLVKUCZ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.75
Rot. Bonds2

About 3-[amino(propan-2-yl)amino]pyridin-2-amine

3-[amino(propan-2-yl)amino]pyridin-2-amine (PubChem CID 167189595) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-[amino(propan-2-yl)amino]pyridin-2-amine.

Molecular Properties

Compound Name3-[amino(propan-2-yl)amino]pyridin-2-amine
PubChem CID167189595
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-[amino(propan-2-yl)amino]pyridin-2-amine
SMILESCC(C)N(N)c1cccnc1N
InChIInChI=1S/C8H14N4/c1-6(2)12(10)7-4-3-5-11-8(7)9/h3-6H,10H2,1-2H3,(H2,9,11)
InChIKeyTZZUYDLDLVKUCZ-UHFFFAOYSA-N
XLogP0.75
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine
CID 104540178
3-N,3-N-diethylpyridine-2,3-diamine
CID 54572211
3-N-methyl-3-N-pentan-3-ylpyridine-2,3-diamine
CID 104539955
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 104540169
2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 104540016
3-amino-1-(2-amino-3-pyridinyl)-1-methylurea
CID 3330766
3-N-propan-2-ylpyridine-2,3-diamine
CID 58213244
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile
CID 104539719
2-[(2-amino-2-oxoethyl)-(2-amino-3-pyridinyl)amino]acetamide
CID 104540322
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677

Frequently Asked Questions

What is the IUPAC name of 3-[amino(propan-2-yl)amino]pyridin-2-amine?
The IUPAC name of 3-[amino(propan-2-yl)amino]pyridin-2-amine (CID 167189595) is 3-[amino(propan-2-yl)amino]pyridin-2-amine.
What is the SMILES notation for 3-[amino(propan-2-yl)amino]pyridin-2-amine?
The canonical SMILES for 3-[amino(propan-2-yl)amino]pyridin-2-amine is CC(C)N(N)c1cccnc1N.
What is the InChIKey of 3-[amino(propan-2-yl)amino]pyridin-2-amine?
The InChIKey is TZZUYDLDLVKUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)12(10)7-4-3-5-11-8(7)9/h3-6H,10H2,1-2H3,(H2,9,11).
What are the key properties of 3-[amino(propan-2-yl)amino]pyridin-2-amine?
3-[amino(propan-2-yl)amino]pyridin-2-amine has a molecular weight of 166.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(propan-2-yl)amino]pyridin-2-amine is sourced from PubChem (CID 167189595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).