1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine

C10H17NO — CID 123396101

IUPAC1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
SMILESCOC1=CC=CCC1CN(C)C
InChIInChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-5,7,9H,6,8H2,1-3H3
InChIKeyLMYOLDTXXPEOFA-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds3

About 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine

1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 123396101) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID123396101
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
SMILESCOC1=CC=CCC1CN(C)C
InChIInChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-5,7,9H,6,8H2,1-3H3
InChIKeyLMYOLDTXXPEOFA-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2,5-dihydropyrrole
CID 70452829
1-(2-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 70543022
(4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine
CID 138739942
3-Methyl-2,4,4a,5-tetrahydro-1,3-benzoxazine
CID 141035288
Ethene;3,7,8-trimethyl-2,4,4a,5-tetrahydro-1,3-benzoxazine
CID 141802776
N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine
CID 142062864
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine
CID 143444022
3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 155381623
1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 163962765
(4-Methoxycyclohexa-2,4-dien-1-yl)methyl-trimethylazanium
CID 167083277
N-ethyl-2-[(4E)-2-methoxy-4,6-dimethylcycloocta-1,4,7-trien-1-yl]-N-methylethanamine
CID 174031613

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine (CID 123396101) is 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine is COC1=CC=CCC1CN(C)C.
What is the InChIKey of 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is LMYOLDTXXPEOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 123396101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).