N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine

C16H34N2O — CID 79849429

IUPACN-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN(C)CCCOC)CCCC1(C)C
InChIInChI=1S/C16H34N2O/c1-6-17-15-14(9-7-10-16(15,2)3)13-18(4)11-8-12-19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyXQWYKEQBFBYBSR-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds8

About N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine

N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79849429) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79849429
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(CN(C)CCCOC)CCCC1(C)C
InChIInChI=1S/C16H34N2O/c1-6-17-15-14(9-7-10-16(15,2)3)13-18(4)11-8-12-19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyXQWYKEQBFBYBSR-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
CID 107204583
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 82953409
5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
N-ethyl-6-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853277
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'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117
N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853183
N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79842872
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842615

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine (CID 79849429) is N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine is CCNC1C(CN(C)CCCOC)CCCC1(C)C.
What is the InChIKey of N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is XQWYKEQBFBYBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-17-15-14(9-7-10-16(15,2)3)13-18(4)11-8-12-19-5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79849429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).