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

C12H21N3 — CID 106328082

IUPAC5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine
SMILESCCC(C)(CC)Nc1cc(N)c(C)cn1
InChIInChI=1S/C12H21N3/c1-5-12(4,6-2)15-11-7-10(13)9(3)8-14-11/h7-8H,5-6H2,1-4H3,(H3,13,14,15)
InChIKeyLKJFIBBYAOIDNN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.96
Rot. Bonds4

About 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine

5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine (PubChem CID 106328082) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine
PubChem CID106328082
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine
SMILESCCC(C)(CC)Nc1cc(N)c(C)cn1
InChIInChI=1S/C12H21N3/c1-5-12(4,6-2)15-11-7-10(13)9(3)8-14-11/h7-8H,5-6H2,1-4H3,(H3,13,14,15)
InChIKeyLKJFIBBYAOIDNN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol
CID 83265169
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 114164166
2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
CID 83266255
3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine
CID 106328101
3-[(4-amino-5-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106275165
2-N-(2,3-dimethylbutyl)-5-methylpyridine-2,4-diamine
CID 83266034
5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
CID 106426462
N-(4-amino-5-methyl-2-pyridinyl)acetamide
CID 66747868
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231544
5-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83265932
5-[(4-amino-5-methyl-2-pyridinyl)amino]pentanamide
CID 106234120

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine (CID 106328082) is 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine is CCC(C)(CC)Nc1cc(N)c(C)cn1.
What is the InChIKey of 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine?
The InChIKey is LKJFIBBYAOIDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-12(4,6-2)15-11-7-10(13)9(3)8-14-11/h7-8H,5-6H2,1-4H3,(H3,13,14,15).
What are the key properties of 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine?
5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 106328082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).