methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine

C11H21NO2 — CID 70543021

IUPACmethanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
SMILESCNCC1(C)CC=CC=C1OC.CO
InChIInChI=1S/C10H17NO.CH4O/c1-10(8-11-2)7-5-4-6-9(10)12-3;1-2/h4-6,11H,7-8H2,1-3H3;2H,1H3
InChIKeyJJQGEALNHPZBHO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.31
Rot. Bonds3

About methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine

methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine (PubChem CID 70543021) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Namemethanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
PubChem CID70543021
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
SMILESCNCC1(C)CC=CC=C1OC.CO
InChIInChI=1S/C10H17NO.CH4O/c1-10(8-11-2)7-5-4-6-9(10)12-3;1-2/h4-6,11H,7-8H2,1-3H3;2H,1H3
InChIKeyJJQGEALNHPZBHO-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine?
The IUPAC name of methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine (CID 70543021) is methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine is CNCC1(C)CC=CC=C1OC.CO.
What is the InChIKey of methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine?
The InChIKey is JJQGEALNHPZBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.CH4O/c1-10(8-11-2)7-5-4-6-9(10)12-3;1-2/h4-6,11H,7-8H2,1-3H3;2H,1H3.
What are the key properties of methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine?
methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 70543021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).