2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine

C16H30N4 — CID 102997418

IUPAC2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine
SMILESCCN(CCCN(C)C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-20(13-9-12-19(5)6)15-11-8-10-14(17-15)18-16(2,3)4/h8,10-11H,7,9,12-13H2,1-6H3,(H,17,18)
InChIKeyMUCITAIIABGQAR-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.07
Rot. Bonds7

About 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine

2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine (PubChem CID 102997418) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine
PubChem CID102997418
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine
SMILESCCN(CCCN(C)C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-20(13-9-12-19(5)6)15-11-8-10-14(17-15)18-16(2,3)4/h8,10-11H,7,9,12-13H2,1-6H3,(H,17,18)
InChIKeyMUCITAIIABGQAR-UHFFFAOYSA-N
XLogP3.07
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998802
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 113323698
6-N-[3-(diethylamino)propyl]-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 102998950
2-N-tert-butyl-6-N-(2-methoxyethyl)-6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 115498330
6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80754350
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
2-N-tert-butyl-6-N-(4-ethylphenyl)-6-N-methylpyridine-2,6-diamine
CID 115498333
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80834417
4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998809
6-N-ethyl-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 80809532

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine?
The IUPAC name of 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine (CID 102997418) is 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine is CCN(CCCN(C)C)c1cccc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine?
The InChIKey is MUCITAIIABGQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-20(13-9-12-19(5)6)15-11-8-10-14(17-15)18-16(2,3)4/h8,10-11H,7,9,12-13H2,1-6H3,(H,17,18).
What are the key properties of 2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine?
2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.07, 7 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-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 102997418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).