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

C16H34N2O2 — CID 79848637

IUPAC6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCOCCCN(CCOC)CC1CCCC(C)(C)C1N
InChIInChI=1S/C16H34N2O2/c1-16(2)8-5-7-14(15(16)17)13-18(10-12-20-4)9-6-11-19-3/h14-15H,5-13,17H2,1-4H3
InChIKeyGCHZFFXGLMYLFD-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.12
Rot. Bonds9

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

6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79848637) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79848637
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCOCCCN(CCOC)CC1CCCC(C)(C)C1N
InChIInChI=1S/C16H34N2O2/c1-16(2)8-5-7-14(15(16)17)13-18(10-12-20-4)9-6-11-19-3/h14-15H,5-13,17H2,1-4H3
InChIKeyGCHZFFXGLMYLFD-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848872
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605
2-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclopentan-1-amine
CID 79565209
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
CID 66235507
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855167
N-ethyl-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclohexan-1-amine
CID 62614429
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
[1-amino-2-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]cyclopentyl]methanol
CID 79571521
N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849429
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
6-[[cyclobutylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849427
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine (CID 79848637) is 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine is COCCCN(CCOC)CC1CCCC(C)(C)C1N.
What is the InChIKey of 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is GCHZFFXGLMYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-16(2)8-5-7-14(15(16)17)13-18(10-12-20-4)9-6-11-19-3/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine?
6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79848637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).