1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine

C10H17NO — CID 143205447

IUPAC1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
SMILESCOC1=C(CN(C)C)C=CCC1
InChIInChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4,6H,5,7-8H2,1-3H3
InChIKeyGHVAPXVMNHTHNG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine

1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 143205447) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID143205447
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
SMILESCOC1=C(CN(C)C)C=CCC1
InChIInChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4,6H,5,7-8H2,1-3H3
InChIKeyGHVAPXVMNHTHNG-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine
CID 173192989
N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine
CID 134921126
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
CID 134966484
3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine
CID 54065066
1-(5-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2,5-dihydropyrrole
CID 70452829
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89688710
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 89688747
1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 123396101
N,N-dimethyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
CID 123405257
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
3-Prop-2-enyl-2,4,7,8-tetrahydro-1,3-benzoxazine
CID 138646495

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine (CID 143205447) is 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine is COC1=C(CN(C)C)C=CCC1.
What is the InChIKey of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is GHVAPXVMNHTHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4,6H,5,7-8H2,1-3H3.
What are the key properties of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine?
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 143205447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).