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

C16H30N2 — CID 83055066

IUPACN-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CCCC2CCCC21
InChIInChI=1S/C16H30N2/c1-2-5-15(12-17-14-9-10-14)18-11-4-7-13-6-3-8-16(13)18/h13-17H,2-12H2,1H3
InChIKeyZELXODXAHZSVOH-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds6

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

N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine (PubChem CID 83055066) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine
PubChem CID83055066
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CCCC2CCCC21
InChIInChI=1S/C16H30N2/c1-2-5-15(12-17-14-9-10-14)18-11-4-7-13-6-3-8-16(13)18/h13-17H,2-12H2,1H3
InChIKeyZELXODXAHZSVOH-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054886
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine
CID 102728565
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pentyl]cyclopropanamine
CID 83053975
N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79409085
N-[2-(2-cyclopentylpyrrolidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62431505
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)heptan-1-amine
CID 65319223
2-(2-cyclopentylpyrrolidin-1-yl)-N-ethylbutan-1-amine
CID 62431511
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62432597
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
CID 103227390
1-heptan-4-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678004
N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 83054279
N-ethyl-2-(2-methylpyrrolidin-1-yl)pentan-1-amine
CID 83043110

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine (CID 83055066) is N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine is CCCC(CNC1CC1)N1CCCC2CCCC21.
What is the InChIKey of N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine?
The InChIKey is ZELXODXAHZSVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-5-15(12-17-14-9-10-14)18-11-4-7-13-6-3-8-16(13)18/h13-17H,2-12H2,1H3.
What are the key properties of N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine?
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 83055066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).