N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine

C17H36N2O — CID 79853277

IUPACN-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN(CC)C(C)COC)CCCC1(C)C
InChIInChI=1S/C17H36N2O/c1-7-18-16-15(10-9-11-17(16,4)5)12-19(8-2)14(3)13-20-6/h14-16,18H,7-13H2,1-6H3
InChIKeyQBDYYODAYBUOSE-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds8

About N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine

N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79853277) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79853277
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN(CC)C(C)COC)CCCC1(C)C
InChIInChI=1S/C17H36N2O/c1-7-18-16-15(10-9-11-17(16,4)5)12-19(8-2)14(3)13-20-6/h14-16,18H,7-13H2,1-6H3
InChIKeyQBDYYODAYBUOSE-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 82953409
2-N-ethyl-1-N-(1-methoxypropan-2-yl)-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828606
N-ethyl-2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-amine
CID 62610665
N-ethyl-6-[[ethyl(2-methylpropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853430
N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79842872
N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849429
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853183
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865758
N-ethyl-6-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853175
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79853433
N-ethyl-6-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclohexan-1-amine
CID 79836067

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine (CID 79853277) is N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine is CCNC1C(CN(CC)C(C)COC)CCCC1(C)C.
What is the InChIKey of N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is QBDYYODAYBUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-18-16-15(10-9-11-17(16,4)5)12-19(8-2)14(3)13-20-6/h14-16,18H,7-13H2,1-6H3.
What are the key properties of N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79853277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).