3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide

C15H29N3O — CID 66429305

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCC2CCCC21
InChIInChI=1S/C15H29N3O/c1-2-8-17-15(19)10-13(11-16)18-9-4-6-12-5-3-7-14(12)18/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyHUIFGLXIYRWYIW-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.49
Rot. Bonds6

About 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide (PubChem CID 66429305) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
PubChem CID66429305
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCC2CCCC21
InChIInChI=1S/C15H29N3O/c1-2-8-17-15(19)10-13(11-16)18-9-4-6-12-5-3-7-14(12)18/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyHUIFGLXIYRWYIW-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide with MolForge

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Related Compounds

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-amino-N-propylbutanamide
CID 82747117
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide
CID 66428466
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-methylbutanamide
CID 66428846
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-amino-N-propan-2-ylbutanamide
CID 102725796
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457
tert-butyl N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-aminobutyl]carbamate
CID 102730168
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)heptan-1-amine
CID 65319223
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-amino-N-ethylbutanamide
CID 66429077
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide (CID 66429305) is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCCC2CCCC21.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide?
The InChIKey is HUIFGLXIYRWYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-8-17-15(19)10-13(11-16)18-9-4-6-12-5-3-7-14(12)18/h12-14H,2-11,16H2,1H3,(H,17,19).
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide?
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide has a molecular weight of 267.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide is sourced from PubChem (CID 66429305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).