2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine

C16H30N2 — CID 79570627

IUPAC2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCN1CCCC2CCCCC21
InChIInChI=1S/C16H30N2/c17-15-8-3-6-13(15)10-12-18-11-4-7-14-5-1-2-9-16(14)18/h13-16H,1-12,17H2
InChIKeyVBZURPXARCHXTC-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds3

About 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine

2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine (PubChem CID 79570627) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
PubChem CID79570627
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCN1CCCC2CCCCC21
InChIInChI=1S/C16H30N2/c17-15-8-3-6-13(15)10-12-18-11-4-7-14-5-1-2-9-16(14)18/h13-16H,1-12,17H2
InChIKeyVBZURPXARCHXTC-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine with MolForge

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Related Compounds

2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-ol
CID 79564172
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]cyclopentan-1-ol
CID 79564703
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79577457
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62611368
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]piperidin-4-amine
CID 79328437
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
2-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 79564461
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046297
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclohexan-1-amine
CID 63044908
[1-amino-2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclopentyl]methanol
CID 79571172
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine (CID 79570627) is 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine is NC1CCCC1CCN1CCCC2CCCCC21.
What is the InChIKey of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine?
The InChIKey is VBZURPXARCHXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c17-15-8-3-6-13(15)10-12-18-11-4-7-14-5-1-2-9-16(14)18/h13-16H,1-12,17H2.
What are the key properties of 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine?
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79570627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).