2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine

C13H23N3 — CID 81131403

IUPAC2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine
SMILESCCC(CC)(CC)Nc1nc(C)ccc1N
InChIInChI=1S/C13H23N3/c1-5-13(6-2,7-3)16-12-11(14)9-8-10(4)15-12/h8-9H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyPDHREXPINYYIII-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.35
Rot. Bonds5

About 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine

2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine (PubChem CID 81131403) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine
PubChem CID81131403
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine
SMILESCCC(CC)(CC)Nc1nc(C)ccc1N
InChIInChI=1S/C13H23N3/c1-5-13(6-2,7-3)16-12-11(14)9-8-10(4)15-12/h8-9H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyPDHREXPINYYIII-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845390
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825
2-N-(cyclohexylmethyl)-6-methylpyridine-2,3-diamine
CID 81132071
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 81132933
6-methyl-2-N-pentan-2-ylpyridine-2,3-diamine
CID 81132763
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-6-methylpyridine-3-carbonitrile
CID 114010626
6-methyl-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 81131753
2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 81132463
2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
CID 81131400
6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine
CID 81132188
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
2-[(3-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82057666

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine (CID 81131403) is 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine is CCC(CC)(CC)Nc1nc(C)ccc1N.
What is the InChIKey of 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine?
The InChIKey is PDHREXPINYYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-13(6-2,7-3)16-12-11(14)9-8-10(4)15-12/h8-9H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine?
2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-3-yl)-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81131403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).