1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine

C14H29NO2 — CID 103490163

IUPAC1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine
SMILESCCOCC(C)OC1(CNC)CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-5-16-10-13(3)17-14(11-15-4)8-6-7-12(2)9-14/h12-13,15H,5-11H2,1-4H3
InChIKeyHYBMSJBPQPWZJG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds7

About 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine

1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine (PubChem CID 103490163) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine
PubChem CID103490163
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine
SMILESCCOCC(C)OC1(CNC)CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-5-16-10-13(3)17-14(11-15-4)8-6-7-12(2)9-14/h12-13,15H,5-11H2,1-4H3
InChIKeyHYBMSJBPQPWZJG-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-3-methylcyclohexane
CID 103490022
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 103490217
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane
CID 103490011
N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 82956772
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane
CID 103490005
N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474271
3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine (CID 103490163) is 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine is CCOCC(C)OC1(CNC)CCCC(C)C1.
What is the InChIKey of 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is HYBMSJBPQPWZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-16-10-13(3)17-14(11-15-4)8-6-7-12(2)9-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine?
1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 103490163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).