2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine

C18H34N2 — CID 102725751

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine
SMILESNCC(C1CCCCCC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H34N2/c19-14-18(16-8-3-1-2-4-9-16)20-13-7-11-15-10-5-6-12-17(15)20/h15-18H,1-14,19H2/t15-,17-,18?/m1/s1
InChIKeyFIMMHIFKBIQYDS-KOFGWKMWSA-N
MW278.48 g/mol
LogP3.94
Rot. Bonds3

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

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine (PubChem CID 102725751) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine
PubChem CID102725751
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine
SMILESNCC(C1CCCCCC1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H34N2/c19-14-18(16-8-3-1-2-4-9-16)20-13-7-11-15-10-5-6-12-17(15)20/h15-18H,1-14,19H2/t15-,17-,18?/m1/s1
InChIKeyFIMMHIFKBIQYDS-KOFGWKMWSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-cyclohexylpropan-1-amine
CID 82746613
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-aminopropanoic acid
CID 102725793
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102726031
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxypropan-1-amine
CID 103227391
2-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-amine
CID 103226041
2-cyclopentyl-2-pyrrolidin-1-ylethanamine
CID 62071576
methyl 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-aminopropanoate
CID 102725778
2-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 60973279
2-cyclopropyl-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124066
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 102725518
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-amino-N-propan-2-ylbutanamide
CID 102725796
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)nonan-1-amine
CID 43628091

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine (CID 102725751) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine is NCC(C1CCCCCC1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine?
The InChIKey is FIMMHIFKBIQYDS-KOFGWKMWSA-N. The full InChI is InChI=1S/C18H34N2/c19-14-18(16-8-3-1-2-4-9-16)20-13-7-11-15-10-5-6-12-17(15)20/h15-18H,1-14,19H2/t15-,17-,18?/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine has a molecular weight of 278.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cycloheptylethanamine is sourced from PubChem (CID 102725751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).