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

C18H34N2 — CID 79853185

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(CN2CCCC3CCCCC32)C1N
InChIInChI=1S/C18H34N2/c1-18(2)11-5-8-15(17(18)19)13-20-12-6-9-14-7-3-4-10-16(14)20/h14-17H,3-13,19H2,1-2H3
InChIKeyZZNCNHJWHCBOPP-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.79
Rot. Bonds2

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

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79853185) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79853185
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(CN2CCCC3CCCCC32)C1N
InChIInChI=1S/C18H34N2/c1-18(2)11-5-8-15(17(18)19)13-20-12-6-9-14-7-3-4-10-16(14)20/h14-17H,3-13,19H2,1-2H3
InChIKeyZZNCNHJWHCBOPP-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2,2-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 79852553
[1-[(2-amino-3,3-dimethylcyclohexyl)methyl]pyrrolidin-2-yl]methanol
CID 79849186
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855662
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62611368
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79912449
5-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866962
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627661
5-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865483
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
CID 79570627
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102728306
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853423

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine (CID 79853185) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC(CN2CCCC3CCCCC32)C1N.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is ZZNCNHJWHCBOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-18(2)11-5-8-15(17(18)19)13-20-12-6-9-14-7-3-4-10-16(14)20/h14-17H,3-13,19H2,1-2H3.
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.79, 2 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-ylmethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79853185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).