4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine

C14H25N3O — CID 64533806

IUPAC4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C(C)OCC
InChIInChI=1S/C14H25N3O/c1-4-7-16-13(11(3)18-5-2)9-12-6-8-17-14(15)10-12/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3,(H2,15,17)
InChIKeyNKDNHSXTETWNBF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.00
Rot. Bonds8

About 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine

4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine (PubChem CID 64533806) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
PubChem CID64533806
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C(C)OCC
InChIInChI=1S/C14H25N3O/c1-4-7-16-13(11(3)18-5-2)9-12-6-8-17-14(15)10-12/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3,(H2,15,17)
InChIKeyNKDNHSXTETWNBF-UHFFFAOYSA-N
XLogP2.00
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566
4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 106815088
4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
CID 65132138
1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535226
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708
4-[3-methoxy-2-(methylamino)hexyl]pyridin-2-amine
CID 116718992
4-[2-(2-methylpyrimidin-4-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115530998
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
4-[2-(2-methylfuran-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 104790403
4-(2-hydrazinylpropyl)pyridin-2-amine
CID 105201271

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine?
The IUPAC name of 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine (CID 64533806) is 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine?
The canonical SMILES for 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine is CCCNC(Cc1ccnc(N)c1)C(C)OCC.
What is the InChIKey of 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine?
The InChIKey is NKDNHSXTETWNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-16-13(11(3)18-5-2)9-12-6-8-17-14(15)10-12/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3,(H2,15,17).
What are the key properties of 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine?
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine is sourced from PubChem (CID 64533806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).