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

C16H29N3O — CID 116759404

IUPAC3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine
SMILESCCCNC(Cc1cccnc1N)C(C)(CC)OCC
InChIInChI=1S/C16H29N3O/c1-5-10-18-14(16(4,6-2)20-7-3)12-13-9-8-11-19-15(13)17/h8-9,11,14,18H,5-7,10,12H2,1-4H3,(H2,17,19)
InChIKeyXGSNBIMOGDKRSL-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.78
Rot. Bonds9

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

3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine (PubChem CID 116759404) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine
PubChem CID116759404
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine
SMILESCCCNC(Cc1cccnc1N)C(C)(CC)OCC
InChIInChI=1S/C16H29N3O/c1-5-10-18-14(16(4,6-2)20-7-3)12-13-9-8-11-19-15(13)17/h8-9,11,14,18H,5-7,10,12H2,1-4H3,(H2,17,19)
InChIKeyXGSNBIMOGDKRSL-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759408
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
3-[2-(3-ethyl-2-pyridinyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 82732814
3-methoxy-3-methyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 116758123
1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062404
1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
3-[2-(2,2-dimethylcyclopropyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 107925499
3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 79517746

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine?
The IUPAC name of 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine (CID 116759404) is 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine.
What is the SMILES notation for 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine?
The canonical SMILES for 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine is CCCNC(Cc1cccnc1N)C(C)(CC)OCC.
What is the InChIKey of 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine?
The InChIKey is XGSNBIMOGDKRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-10-18-14(16(4,6-2)20-7-3)12-13-9-8-11-19-15(13)17/h8-9,11,14,18H,5-7,10,12H2,1-4H3,(H2,17,19).
What are the key properties of 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine?
3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine is sourced from PubChem (CID 116759404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).