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

C10H17NO — CID 163962765

IUPAC1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
SMILESCOC1=CCC(CN(C)C)C=C1
InChIInChI=1S/C10H17NO/c1-11(2)8-9-4-6-10(12-3)7-5-9/h4,6-7,9H,5,8H2,1-3H3
InChIKeySIZLQTXDHJGSHN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds3

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

1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 163962765) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID163962765
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
SMILESCOC1=CCC(CN(C)C)C=C1
InChIInChI=1S/C10H17NO/c1-11(2)8-9-4-6-10(12-3)7-5-9/h4,6-7,9H,5,8H2,1-3H3
InChIKeySIZLQTXDHJGSHN-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

(3Z,5E,7E)-N-butyl-N,2-diethyl-4,8-difluoro-6-methoxynona-3,5,7-trien-1-amine
CID 173865956
2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 134935258
lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
12-Methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 56636282
1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 123396101
4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 123784215
1-[3-(4-Methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine
CID 129295731
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-3-methylbutan-1-amine
CID 138519062

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine (CID 163962765) is 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine is COC1=CCC(CN(C)C)C=C1.
What is the InChIKey of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is SIZLQTXDHJGSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)8-9-4-6-10(12-3)7-5-9/h4,6-7,9H,5,8H2,1-3H3.
What are the key properties of 1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
1-(4-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-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 163962765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).