2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine

C12H17N3 — CID 106215731

IUPAC2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
SMILESC#CCCCCNc1nccc(C)c1N
InChIInChI=1S/C12H17N3/c1-3-4-5-6-8-14-12-11(13)10(2)7-9-15-12/h1,7,9H,4-6,8,13H2,2H3,(H,14,15)
InChIKeySBMFHZLBTKLISK-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.19
Rot. Bonds5

About 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine

2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine (PubChem CID 106215731) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
PubChem CID106215731
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
SMILESC#CCCCCNc1nccc(C)c1N
InChIInChI=1S/C12H17N3/c1-3-4-5-6-8-14-12-11(13)10(2)7-9-15-12/h1,7,9H,4-6,8,13H2,2H3,(H,14,15)
InChIKeySBMFHZLBTKLISK-UHFFFAOYSA-N
XLogP2.19
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
N-hex-5-ynyl-5-methoxyisoquinolin-1-amine
CID 106214608
N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 82331271
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331288
1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine
CID 106222435
3-N-but-3-ynylpyrazine-2,3-diamine
CID 103662522
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170315
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 65034190
4-N-hex-5-ynylpyridine-3,4-diamine
CID 106215733
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583

Frequently Asked Questions

What is the IUPAC name of 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine (CID 106215731) is 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine is C#CCCCCNc1nccc(C)c1N.
What is the InChIKey of 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine?
The InChIKey is SBMFHZLBTKLISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-4-5-6-8-14-12-11(13)10(2)7-9-15-12/h1,7,9H,4-6,8,13H2,2H3,(H,14,15).
What are the key properties of 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine?
2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine has a molecular weight of 203.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine is sourced from PubChem (CID 106215731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).