1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine

C11H21NO2 — CID 123264362

IUPAC1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine
SMILESCNCC1CC=C(OC)CC1COC
InChIInChI=1S/C11H21NO2/c1-12-7-9-4-5-11(14-3)6-10(9)8-13-2/h5,9-10,12H,4,6-8H2,1-3H3
InChIKeyHHSFJDPWNQEKFI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds5

About 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine

1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine (PubChem CID 123264362) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine
PubChem CID123264362
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine
SMILESCNCC1CC=C(OC)CC1COC
InChIInChI=1S/C11H21NO2/c1-12-7-9-4-5-11(14-3)6-10(9)8-13-2/h5,9-10,12H,4,6-8H2,1-3H3
InChIKeyHHSFJDPWNQEKFI-UHFFFAOYSA-N
XLogP1.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972891
3-ethyl-2-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972892
2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine
CID 123500183
1-(3-methoxycyclohex-2-en-1-yl)-N-methylmethanamine
CID 12447981
N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
CID 62455375

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine (CID 123264362) is 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine is CNCC1CC=C(OC)CC1COC.
What is the InChIKey of 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine?
The InChIKey is HHSFJDPWNQEKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12-7-9-4-5-11(14-3)6-10(9)8-13-2/h5,9-10,12H,4,6-8H2,1-3H3.
What are the key properties of 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine?
1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine is sourced from PubChem (CID 123264362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).