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

C12H21N3 — CID 106328101

IUPAC3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine
SMILESCCC(C)(CC)Nc1ncc(N)cc1C
InChIInChI=1S/C12H21N3/c1-5-12(4,6-2)15-11-9(3)7-10(13)8-14-11/h7-8H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyQFIHOIRMTWTZLL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.96
Rot. Bonds4

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

3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine (PubChem CID 106328101) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine
PubChem CID106328101
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine
SMILESCCC(C)(CC)Nc1ncc(N)cc1C
InChIInChI=1S/C12H21N3/c1-5-12(4,6-2)15-11-9(3)7-10(13)8-14-11/h7-8H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyQFIHOIRMTWTZLL-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

ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
3-methyl-2-N-propylpyridine-2,5-diamine
CID 62478048
5-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,4-diamine
CID 106328082
N-(5-amino-3-methyl-2-pyridinyl)propanamide
CID 112555431
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303
3-N-(3-methylpentan-3-yl)pyrazine-2,3-diamine
CID 106331964
3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
CID 113326794
2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine
CID 130816032
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine
CID 115148083
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine (CID 106328101) is 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine is CCC(C)(CC)Nc1ncc(N)cc1C.
What is the InChIKey of 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine?
The InChIKey is QFIHOIRMTWTZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-12(4,6-2)15-11-9(3)7-10(13)8-14-11/h7-8H,5-6,13H2,1-4H3,(H,14,15).
What are the key properties of 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine?
3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-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 3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine is sourced from PubChem (CID 106328101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).