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

C18H34N2 — CID 64762335

IUPAC[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCCC3CCCCC32)C1C
InChIInChI=1S/C18H34N2/c1-14-7-5-11-18(13-19,15(14)2)20-12-6-9-16-8-3-4-10-17(16)20/h14-17H,3-13,19H2,1-2H3
InChIKeyMIZXMJSBBAJQCD-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.79
Rot. Bonds2

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

[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine (PubChem CID 64762335) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine
PubChem CID64762335
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCCC3CCCCC32)C1C
InChIInChI=1S/C18H34N2/c1-14-7-5-11-18(13-19,15(14)2)20-12-6-9-16-8-3-4-10-17(16)20/h14-17H,3-13,19H2,1-2H3
InChIKeyMIZXMJSBBAJQCD-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 [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine with MolForge

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Related Compounds

[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 65319468
[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045419
1-[1-[1-(aminomethyl)-2,3-dimethylcyclohexyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 64761570
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
CID 43409671
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43628102
[1-(2,2-dimethylpyrrolidin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64763160
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365202
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
CID 79521878
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088575
[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
CID 102725752
[1-(2-ethylmorpholin-4-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64761345

Frequently Asked Questions

What is the IUPAC name of [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine (CID 64762335) is [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine is CC1CCCC(CN)(N2CCCC3CCCCC32)C1C.
What is the InChIKey of [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine?
The InChIKey is MIZXMJSBBAJQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-14-7-5-11-18(13-19,15(14)2)20-12-6-9-16-8-3-4-10-17(16)20/h14-17H,3-13,19H2,1-2H3.
What are the key properties of [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine?
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine 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 [1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 64762335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).