6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine

C13H22N4 — CID 80651922

IUPAC6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
SMILESCCN1CCCC1CN(C)c1cccc(N)n1
InChIInChI=1S/C13H22N4/c1-3-17-9-5-6-11(17)10-16(2)13-8-4-7-12(14)15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,14,15)
InChIKeyPKKXRJYHQRAIBW-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.58
Rot. Bonds4

About 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine

6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine (PubChem CID 80651922) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
PubChem CID80651922
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
SMILESCCN1CCCC1CN(C)c1cccc(N)n1
InChIInChI=1S/C13H22N4/c1-3-17-9-5-6-11(17)10-16(2)13-8-4-7-12(14)15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,14,15)
InChIKeyPKKXRJYHQRAIBW-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 115498520
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 79303922
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
6-N-(cyclopentylmethyl)-6-N-methylpyridine-2,6-diamine
CID 80653540
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80849077
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 80629731
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
2-(aminomethyl)-3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79303489
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80848598

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine (CID 80651922) is 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine is CCN1CCCC1CN(C)c1cccc(N)n1.
What is the InChIKey of 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine?
The InChIKey is PKKXRJYHQRAIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17-9-5-6-11(17)10-16(2)13-8-4-7-12(14)15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine?
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80651922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).