1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine

C15H31NO3 — CID 103180422

IUPAC1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1(OCCOCCCOC)CCC(C)CC1
InChIInChI=1S/C15H31NO3/c1-14-5-7-15(8-6-14,13-16-2)19-12-11-18-10-4-9-17-3/h14,16H,4-13H2,1-3H3
InChIKeyXBDICCHZRUXENE-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.22
Rot. Bonds10

About 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine

1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 103180422) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID103180422
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1(OCCOCCCOC)CCC(C)CC1
InChIInChI=1S/C15H31NO3/c1-14-5-7-15(8-6-14,13-16-2)19-12-11-18-10-4-9-17-3/h14,16H,4-13H2,1-3H3
InChIKeyXBDICCHZRUXENE-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.22
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

1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
CID 104565674
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 62108000
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
1-[1-(2-methoxyethoxy)cyclopentyl]-N-methylmethanamine
CID 62108671
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 62382213
N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
CID 63685434
N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180
N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
CID 103274564

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine (CID 103180422) is 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine is CNCC1(OCCOCCCOC)CCC(C)CC1.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is XBDICCHZRUXENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-14-5-7-15(8-6-14,13-16-2)19-12-11-18-10-4-9-17-3/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine?
1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 103180422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).