3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine

C12H21NO — CID 143444022

IUPAC3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine
SMILESCC(CCN(C)C)OC1=CC=CCC1
InChIInChI=1S/C12H21NO/c1-11(9-10-13(2)3)14-12-7-5-4-6-8-12/h4-5,7,11H,6,8-10H2,1-3H3
InChIKeyQOXQKRUNDYDEJU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds5

About 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine

3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine (PubChem CID 143444022) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine
PubChem CID143444022
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine
SMILESCC(CCN(C)C)OC1=CC=CCC1
InChIInChI=1S/C12H21NO/c1-11(9-10-13(2)3)14-12-7-5-4-6-8-12/h4-5,7,11H,6,8-10H2,1-3H3
InChIKeyQOXQKRUNDYDEJU-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
CID 91473026
1-(3-Cyclohexa-1,3-dien-1-yloxypropyl)pyrrolidine
CID 91569958
3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 91806525
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
3-(2-methoxycyclohexa-1,3-dien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 141085642
1-(3-Cyclohexa-1,3-dien-1-yloxypropyl)piperidine
CID 141109596
3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine
CID 142096184
3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 155381623
1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 14591216

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine (CID 143444022) is 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine is CC(CCN(C)C)OC1=CC=CCC1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine?
The InChIKey is QOXQKRUNDYDEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(9-10-13(2)3)14-12-7-5-4-6-8-12/h4-5,7,11H,6,8-10H2,1-3H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine?
3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 143444022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).