6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine

C16H28N4O — CID 43261070

IUPAC6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
SMILESCCOc1nc(NCCCN2CCCCC2C)ccc1N
InChIInChI=1S/C16H28N4O/c1-3-21-16-14(17)8-9-15(19-16)18-10-6-12-20-11-5-4-7-13(20)2/h8-9,13H,3-7,10-12,17H2,1-2H3,(H,18,19)
InChIKeyOJHMYCVNTWWDFJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.74
Rot. Bonds7

About 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine

6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine (PubChem CID 43261070) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
PubChem CID43261070
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
SMILESCCOc1nc(NCCCN2CCCCC2C)ccc1N
InChIInChI=1S/C16H28N4O/c1-3-21-16-14(17)8-9-15(19-16)18-10-6-12-20-11-5-4-7-13(20)2/h8-9,13H,3-7,10-12,17H2,1-2H3,(H,18,19)
InChIKeyOJHMYCVNTWWDFJ-UHFFFAOYSA-N
XLogP2.74
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261071
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
1-[2-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]phenyl]ethanone
CID 104612210
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63981193
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407759
6-ethoxy-2-N-(2-ethoxyethyl)pyridine-2,5-diamine
CID 43591109
4-N-[3-(2-methylpiperidin-1-yl)propyl]-6-(6-phenylmethoxycyclohexa-1,5-dien-1-yl)pyrimidine-2,4-diamine
CID 173226016
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine (CID 43261070) is 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine is CCOc1nc(NCCCN2CCCCC2C)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine?
The InChIKey is OJHMYCVNTWWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-21-16-14(17)8-9-15(19-16)18-10-6-12-20-11-5-4-7-13(20)2/h8-9,13H,3-7,10-12,17H2,1-2H3,(H,18,19).
What are the key properties of 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine?
6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine is sourced from PubChem (CID 43261070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).