2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine

C16H28N4O — CID 79303922

IUPAC2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(C)CC2CCCN2CC)ccc1N
InChIInChI=1S/C16H28N4O/c1-4-11-21-16-14(17)8-9-15(18-16)19(3)12-13-7-6-10-20(13)5-2/h8-9,13H,4-7,10-12,17H2,1-3H3
InChIKeyJLPNEPXYPPBNBN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.37
Rot. Bonds7

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine (PubChem CID 79303922) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
PubChem CID79303922
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(N(C)CC2CCCN2CC)ccc1N
InChIInChI=1S/C16H28N4O/c1-4-11-21-16-14(17)8-9-15(18-16)19(3)12-13-7-6-10-20(13)5-2/h8-9,13H,4-7,10-12,17H2,1-3H3
InChIKeyJLPNEPXYPPBNBN-UHFFFAOYSA-N
XLogP2.37
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-propoxypyridine-2,5-diamine
CID 62547989
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 63694450
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835031
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 80629731
2-N-methyl-2-N-(2-methylbutyl)-6-propoxypyridine-2,5-diamine
CID 43295635
2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 43260749
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80849077
2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 115498520
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethoxypyridin-3-amine
CID 62885391

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine (CID 79303922) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine is CCCOc1nc(N(C)CC2CCCN2CC)ccc1N.
What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine?
The InChIKey is JLPNEPXYPPBNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-11-21-16-14(17)8-9-15(18-16)19(3)12-13-7-6-10-20(13)5-2/h8-9,13H,4-7,10-12,17H2,1-3H3.
What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine?
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 79303922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).