2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine

C13H24N4O — CID 43261174

IUPAC2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCCCN(C)C)ccc1N
InChIInChI=1S/C13H24N4O/c1-4-10-18-13-11(14)6-7-12(16-13)15-8-5-9-17(2)3/h6-7H,4-5,8-10,14H2,1-3H3,(H,15,16)
InChIKeyJUCXOHMWHKOSMG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.82
Rot. Bonds8

About 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine

2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine (PubChem CID 43261174) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
PubChem CID43261174
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(NCCCN(C)C)ccc1N
InChIInChI=1S/C13H24N4O/c1-4-10-18-13-11(14)6-7-12(16-13)15-8-5-9-17(2)3/h6-7H,4-5,8-10,14H2,1-3H3,(H,15,16)
InChIKeyJUCXOHMWHKOSMG-UHFFFAOYSA-N
XLogP1.82
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.82
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

2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154613
2-[2-[(5-amino-6-propoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234525
2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine
CID 106394409
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 63694450
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334326
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 106393782
6-propoxy-2-N-(2-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 61474843
methyl 2-[(5-amino-6-propoxy-2-pyridinyl)amino]acetate
CID 43261097

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine (CID 43261174) is 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine is CCCOc1nc(NCCCN(C)C)ccc1N.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine?
The InChIKey is JUCXOHMWHKOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-10-18-13-11(14)6-7-12(16-13)15-8-5-9-17(2)3/h6-7H,4-5,8-10,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine?
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 43261174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).