4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine

C13H26N2O — CID 103152610

IUPAC4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1CCCC2CCCC21
InChIInChI=1S/C13H26N2O/c1-16-12(10-14)7-9-15-8-3-5-11-4-2-6-13(11)15/h11-13H,2-10,14H2,1H3
InChIKeyNHTYSSUMUZKNQU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds5

About 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine (PubChem CID 103152610) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
PubChem CID103152610
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1CCCC2CCCC21
InChIInChI=1S/C13H26N2O/c1-16-12(10-14)7-9-15-8-3-5-11-4-2-6-13(11)15/h11-13H,2-10,14H2,1H3
InChIKeyNHTYSSUMUZKNQU-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
CID 63070084
3-(2-cyclopentylpyrrolidin-1-yl)-2-methoxypropan-1-amine
CID 106114735
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
CID 106115066
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine
CID 103152801
1-(3,3-diethoxypropyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319822
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propan-2-ylamino)butanoate
CID 65324968
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexan-3-amine
CID 102726915
4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
CID 63069725
methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 63055166
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propylamino)butanoate
CID 65324539

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine?
The IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine (CID 103152610) is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine.
What is the SMILES notation for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine?
The canonical SMILES for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine is COC(CN)CCN1CCCC2CCCC21.
What is the InChIKey of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine?
The InChIKey is NHTYSSUMUZKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-12(10-14)7-9-15-8-3-5-11-4-2-6-13(11)15/h11-13H,2-10,14H2,1H3.
What are the key properties of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine?
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine is sourced from PubChem (CID 103152610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).