3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine

C15H30N2 — CID 65320192

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CN1CCCC2CCCC21
InChIInChI=1S/C15H30N2/c1-12(2)16-10-13(3)11-17-9-5-7-14-6-4-8-15(14)17/h12-16H,4-11H2,1-3H3
InChIKeyCMQWEMVERHAQAW-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds5

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

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 65320192) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID65320192
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CN1CCCC2CCCC21
InChIInChI=1S/C15H30N2/c1-12(2)16-10-13(3)11-17-9-5-7-14-6-4-8-15(14)17/h12-16H,4-11H2,1-3H3
InChIKeyCMQWEMVERHAQAW-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N,2-dimethylpropan-1-amine
CID 62432600
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 102728554
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62425984
1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 176943757
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N,2-dimethylpropan-1-amine
CID 82749934
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylpropanoate
CID 65320590
1-(2,2-difluoroethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 130841053
1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 116680176
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-3-methylbutan-1-amine
CID 65320352
3-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62417620
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
CID 63912128

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 65320192) is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)CN1CCCC2CCCC21.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is CMQWEMVERHAQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)16-10-13(3)11-17-9-5-7-14-6-4-8-15(14)17/h12-16H,4-11H2,1-3H3.
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 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)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65320192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).