6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine

C12H21N3 — CID 80647171

IUPAC6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine
SMILESCCC(C)CC(C)Nc1cccc(N)n1
InChIInChI=1S/C12H21N3/c1-4-9(2)8-10(3)14-12-7-5-6-11(13)15-12/h5-7,9-10H,4,8H2,1-3H3,(H3,13,14,15)
InChIKeyMFDIJCKACJFHGY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds5

About 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine

6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine (PubChem CID 80647171) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine
PubChem CID80647171
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine
SMILESCCC(C)CC(C)Nc1cccc(N)n1
InChIInChI=1S/C12H21N3/c1-4-9(2)8-10(3)14-12-7-5-6-11(13)15-12/h5-7,9-10H,4,8H2,1-3H3,(H3,13,14,15)
InChIKeyMFDIJCKACJFHGY-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846918
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074
2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80958767
6-N-hexan-3-ylpyridine-2,6-diamine
CID 80647513
(2S)-2-[(6-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80648091
N-butan-2-yl-6-methylpyridin-2-amine
CID 60877372
2-[(6-amino-2-pyridinyl)amino]propanamide
CID 80647728
6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 80647498
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
6-N-methylpyridine-2,6-diamine
CID 55281082
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine (CID 80647171) is 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine is CCC(C)CC(C)Nc1cccc(N)n1.
What is the InChIKey of 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine?
The InChIKey is MFDIJCKACJFHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-9(2)8-10(3)14-12-7-5-6-11(13)15-12/h5-7,9-10H,4,8H2,1-3H3,(H3,13,14,15).
What are the key properties of 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine?
6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 80647171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).