2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine

C10H15N3 — CID 106182042

IUPAC2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
SMILESCC(C)=CCNc1ncccc1N
InChIInChI=1S/C10H15N3/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h3-6H,7,11H2,1-2H3,(H,12,13)
InChIKeyZJUFGLRNBCBXAM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.04
Rot. Bonds3

About 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine

2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine (PubChem CID 106182042) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
PubChem CID106182042
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
SMILESCC(C)=CCNc1ncccc1N
InChIInChI=1S/C10H15N3/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h3-6H,7,11H2,1-2H3,(H,12,13)
InChIKeyZJUFGLRNBCBXAM-UHFFFAOYSA-N
XLogP2.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191508
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182311
1-[(3-amino-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 65103157
3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102956
2-[(3-amino-2-pyridinyl)amino]acetamide
CID 14390487
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
N-(3-methylbut-2-enyl)-2H-triazolo[4,5-c]pyridin-4-amine
CID 71373628
N-(3-amino-2-pyridinyl)ethanesulfinamide
CID 127015630
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 43545947
2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 43498948

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine (CID 106182042) is 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine is CC(C)=CCNc1ncccc1N.
What is the InChIKey of 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine?
The InChIKey is ZJUFGLRNBCBXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h3-6H,7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine?
2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine has a molecular weight of 177.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine is sourced from PubChem (CID 106182042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).