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

C19H36N2 — CID 79835833

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(N2CCCC3CCCCC32)CCCC1(C)C
InChIInChI=1S/C19H36N2/c1-4-20-18-17(12-7-13-19(18,2)3)21-14-8-10-15-9-5-6-11-16(15)21/h15-18,20H,4-14H2,1-3H3
InChIKeyWGLAXFNKHYEWCA-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds3

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

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79835833) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79835833
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(N2CCCC3CCCCC32)CCCC1(C)C
InChIInChI=1S/C19H36N2/c1-4-20-18-17(12-7-13-19(18,2)3)21-14-8-10-15-9-5-6-11-16(15)21/h15-18,20H,4-14H2,1-3H3
InChIKeyWGLAXFNKHYEWCA-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

5-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79859986
N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 104689520
5-(2,3-dimethylpiperidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860800
N-ethyl-5-(2-ethylpiperidin-1-yl)-2,2-dimethylcyclopentan-1-amine
CID 79864032
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332
N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79828790
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 113335655
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863853
2,2-dimethyl-N-propyl-6-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83053137
6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 103532526
N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine
CID 79829283
N-ethyl-2,2-dimethyl-5-(4-propan-2-ylazepan-1-yl)cyclopentan-1-amine
CID 79859927

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79835833) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(N2CCCC3CCCCC32)CCCC1(C)C.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is WGLAXFNKHYEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-20-18-17(12-7-13-19(18,2)3)21-14-8-10-15-9-5-6-11-16(15)21/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79835833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).