2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine

C19H36N2 — CID 63469924

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1N1CCCC2CCCCC21
InChIInChI=1S/C19H36N2/c1-2-14-20-17-11-4-3-5-13-19(17)21-15-8-10-16-9-6-7-12-18(16)21/h16-20H,2-15H2,1H3
InChIKeyFIISQQXUETXBRU-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.34
Rot. Bonds4

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine (PubChem CID 63469924) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine
PubChem CID63469924
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1N1CCCC2CCCCC21
InChIInChI=1S/C19H36N2/c1-2-14-20-17-11-4-3-5-13-19(17)21-15-8-10-16-9-6-7-12-18(16)21/h16-20H,2-15H2,1H3
InChIKeyFIISQQXUETXBRU-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine with MolForge

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylcyclohexan-1-amine
CID 65320976
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332
2-(2-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 104689600
N-propyl-2-(2-propylpiperidin-1-yl)cycloheptan-1-amine
CID 83052554
N-propyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83053052
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62611367
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylcyclohexan-1-amine
CID 65320543
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79577457
N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine
CID 63469025
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine (CID 63469924) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1N1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine?
The InChIKey is FIISQQXUETXBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-2-14-20-17-11-4-3-5-13-19(17)21-15-8-10-16-9-6-7-12-18(16)21/h16-20H,2-15H2,1H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 63469924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).