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

C10H17NO — CID 70543022

IUPAC1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
SMILESCNCC1(C)CC=CC=C1OC
InChIInChI=1S/C10H17NO/c1-10(8-11-2)7-5-4-6-9(10)12-3/h4-6,11H,7-8H2,1-3H3
InChIKeyNUEJIFZYIJMDPA-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds3

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

1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine (PubChem CID 70543022) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
PubChem CID70543022
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
SMILESCNCC1(C)CC=CC=C1OC
InChIInChI=1S/C10H17NO/c1-10(8-11-2)7-5-4-6-9(10)12-3/h4-6,11H,7-8H2,1-3H3
InChIKeyNUEJIFZYIJMDPA-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
methanol;1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 70543021
N-[(3-tert-butyl-2-methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,2-dimethylpropan-1-amine
CID 71034863
1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 123396101
(Z)-N-[(2-ethoxycyclohexa-2,4-dien-1-yl)methyl]but-2-en-1-amine
CID 134268221
1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]-N-methylmethanamine
CID 140101537
(5-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 141090289
2-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 144387401
ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 144547153
(6E)-2-ethyl-7-methoxy-N-methyldeca-4,6-dien-1-amine
CID 169835724
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 143498026

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine (CID 70543022) is 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine is CNCC1(C)CC=CC=C1OC.
What is the InChIKey of 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine?
The InChIKey is NUEJIFZYIJMDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(8-11-2)7-5-4-6-9(10)12-3/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine?
1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 70543022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).