6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine

C12H21N3 — CID 81132188

IUPAC6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NC(C)CC(C)C)n1
InChIInChI=1S/C12H21N3/c1-8(2)7-10(4)15-12-11(13)6-5-9(3)14-12/h5-6,8,10H,7,13H2,1-4H3,(H,14,15)
InChIKeyYZIPWAQVMWFNOE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.82
Rot. Bonds4

About 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine

6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine (PubChem CID 81132188) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine
PubChem CID81132188
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NC(C)CC(C)C)n1
InChIInChI=1S/C12H21N3/c1-8(2)7-10(4)15-12-11(13)6-5-9(3)14-12/h5-6,8,10H,7,13H2,1-4H3,(H,14,15)
InChIKeyYZIPWAQVMWFNOE-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-N-pentan-2-ylpyridine-2,3-diamine
CID 81132763
3-methoxy-6-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 115921425
1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151105
2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 81132463
6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine
CID 79826217
2-[(3-amino-6-methyl-2-pyridinyl)amino]-3-methylbutanamide
CID 106343886
2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
CID 81131400
6-methyl-2-N-[1-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 81132205
6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 81132314
2-[(3-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82057666
2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine
CID 81131981
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine (CID 81132188) is 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine is Cc1ccc(N)c(NC(C)CC(C)C)n1.
What is the InChIKey of 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine?
The InChIKey is YZIPWAQVMWFNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)7-10(4)15-12-11(13)6-5-9(3)14-12/h5-6,8,10H,7,13H2,1-4H3,(H,14,15).
What are the key properties of 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine?
6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 81132188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).