6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine

C12H21N3 — CID 80754350

IUPAC6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine
SMILESCCCCN(CC)c1cccc(NC)n1
InChIInChI=1S/C12H21N3/c1-4-6-10-15(5-2)12-9-7-8-11(13-3)14-12/h7-9H,4-6,10H2,1-3H3,(H,13,14)
InChIKeyPYZIPOOTXUOTNN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds6

About 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine

6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine (PubChem CID 80754350) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine
PubChem CID80754350
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine
SMILESCCCCN(CC)c1cccc(NC)n1
InChIInChI=1S/C12H21N3/c1-4-6-10-15(5-2)12-9-7-8-11(13-3)14-12/h7-9H,4-6,10H2,1-3H3,(H,13,14)
InChIKeyPYZIPOOTXUOTNN-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[3-(diethylamino)propyl]-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 102998950
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80834417
6-N-ethyl-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 80809532
6-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102998825
6-N-ethyl-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80774981
6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998802
6-N,6-N-bis(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 80795235
N-butyl-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 62286174
2-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-diamine
CID 102997418
6-[(dibutylamino)methyl]-N-methylpyridin-2-amine
CID 79243168
2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80805603
6-bromo-N,N-dibutylpyridin-2-amine
CID 63961710

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine (CID 80754350) is 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine is CCCCN(CC)c1cccc(NC)n1.
What is the InChIKey of 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine?
The InChIKey is PYZIPOOTXUOTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-10-15(5-2)12-9-7-8-11(13-3)14-12/h7-9H,4-6,10H2,1-3H3,(H,13,14).
What are the key properties of 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine?
6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80754350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).