2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine

C14H25N3O — CID 115498288

IUPAC2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine
SMILESCOCC(C)N(C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C14H25N3O/c1-11(10-18-6)17(5)13-9-7-8-12(15-13)16-14(2,3)4/h7-9,11H,10H2,1-6H3,(H,15,16)
InChIKeyBNLUZQYAKYVMQX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.76
Rot. Bonds5

About 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine

2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine (PubChem CID 115498288) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine
PubChem CID115498288
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine
SMILESCOCC(C)N(C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C14H25N3O/c1-11(10-18-6)17(5)13-9-7-8-12(15-13)16-14(2,3)4/h7-9,11H,10H2,1-6H3,(H,15,16)
InChIKeyBNLUZQYAKYVMQX-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 113323698
2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 115498330
6-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 64589442
2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine
CID 115498333
6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 80814827
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80961967
6-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methylpyrazin-2-amine
CID 66456847
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-2-amine
CID 79243357
2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine
CID 102997418
2-N-tert-butyl-6-N-ethyl-6-N-(4-methylphenyl)pyridine-2,6-diamine
CID 115498310
2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 112665284
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 115915445

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine (CID 115498288) is 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine is COCC(C)N(C)c1cccc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine?
The InChIKey is BNLUZQYAKYVMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(10-18-6)17(5)13-9-7-8-12(15-13)16-14(2,3)4/h7-9,11H,10H2,1-6H3,(H,15,16).
What are the key properties of 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine?
2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine has a molecular weight of 251.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-N-(1-methoxypropan-2-yl)-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 115498288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).