3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine

C14H25NO — CID 142096184

IUPAC3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine
SMILESCC(CCN(C)C)OCCC1=CCCC=C1
InChIInChI=1S/C14H25NO/c1-13(9-11-15(2)3)16-12-10-14-7-5-4-6-8-14/h5,7-8,13H,4,6,9-12H2,1-3H3
InChIKeyKIJOIDVZCYTTIQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds7

About 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine

3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine (PubChem CID 142096184) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine
PubChem CID142096184
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine
SMILESCC(CCN(C)C)OCCC1=CCCC=C1
InChIInChI=1S/C14H25NO/c1-13(9-11-15(2)3)16-12-10-14-7-5-4-6-8-14/h5,7-8,13H,4,6,9-12H2,1-3H3
InChIKeyKIJOIDVZCYTTIQ-UHFFFAOYSA-N
XLogP3.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(4-ethenylcyclohexa-2,4-dien-1-yl)methoxy]-3-methylbutoxy]-N,N,3-trimethylbutan-1-amine
CID 68192536
3-cyclohexa-2,4-dien-1-yloxy-N,N,2-trimethylpropan-1-amine
CID 68312152
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683
N,N-dimethyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
CID 123405257
N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine
CID 137428971
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-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 14591216

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine?
The IUPAC name of 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine (CID 142096184) is 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine is CC(CCN(C)C)OCCC1=CCCC=C1.
What is the InChIKey of 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine?
The InChIKey is KIJOIDVZCYTTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(9-11-15(2)3)16-12-10-14-7-5-4-6-8-14/h5,7-8,13H,4,6,9-12H2,1-3H3.
What are the key properties of 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine?
3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 142096184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).