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

C15H27N3O — CID 116727253

IUPAC4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C(C)(C)OCC
InChIInChI=1S/C15H27N3O/c1-5-8-17-13(15(3,4)19-6-2)10-12-7-9-18-14(16)11-12/h7,9,11,13,17H,5-6,8,10H2,1-4H3,(H2,16,18)
InChIKeyMFSUDGAXOLNHCZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.39
Rot. Bonds8

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

4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine (PubChem CID 116727253) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
PubChem CID116727253
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C(C)(C)OCC
InChIInChI=1S/C15H27N3O/c1-5-8-17-13(15(3,4)19-6-2)10-12-7-9-18-14(16)11-12/h7,9,11,13,17H,5-6,8,10H2,1-4H3,(H2,16,18)
InChIKeyMFSUDGAXOLNHCZ-UHFFFAOYSA-N
XLogP2.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-ethoxy-2-(ethylamino)-3-methylpentyl]pyridin-2-amine
CID 116759232
3-ethoxy-1-(furan-3-yl)-3-methyl-N-propylbutan-2-amine
CID 116727069
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806
4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 106815088
4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566
4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
CID 116758668
4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
CID 116759749
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
CID 65132138
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
4-[2-(2-methylpyrimidin-4-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115530998
4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine?
The IUPAC name of 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine (CID 116727253) is 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine?
The canonical SMILES for 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine is CCCNC(Cc1ccnc(N)c1)C(C)(C)OCC.
What is the InChIKey of 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine?
The InChIKey is MFSUDGAXOLNHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-17-13(15(3,4)19-6-2)10-12-7-9-18-14(16)11-12/h7,9,11,13,17H,5-6,8,10H2,1-4H3,(H2,16,18).
What are the key properties of 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine?
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine is sourced from PubChem (CID 116727253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).