3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine

C11H19NO — CID 91806525

IUPAC3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1=CCC=CC1
InChIInChI=1S/C11H19NO/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-4,8H,5-7,9-10H2,1-2H3
InChIKeyGHKZYYQVPLOBPT-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds5

About 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine

3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine (PubChem CID 91806525) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine
PubChem CID91806525
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1=CCC=CC1
InChIInChI=1S/C11H19NO/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-4,8H,5-7,9-10H2,1-2H3
InChIKeyGHKZYYQVPLOBPT-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxy-1-propyl-2,3,6,7-tetrahydroazepine
CID 21503588
4-Ethoxy-1-prop-2-enyl-2,3,6,7-tetrahydroazepine
CID 21503622
3-[(Z)-pent-2-en-3-yl]oxy-N,N-dipropylpropan-1-amine
CID 87106175
3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine
CID 87106176
N,N-diethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine
CID 87106385
N,N-diethyl-3-pent-2-en-2-yloxypropan-1-amine
CID 87106386
N,N-dimethyl-3-[(Z)-pent-2-en-3-yl]oxypropan-1-amine
CID 87106659
N,N-dimethyl-3-pent-2-en-2-yloxypropan-1-amine
CID 87106660
2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 91016545
N,N-dimethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxypropan-1-amine
CID 141976005
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine (CID 91806525) is 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine is CN(C)CCCOC1=CCC=CC1.
What is the InChIKey of 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine?
The InChIKey is GHKZYYQVPLOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-4,8H,5-7,9-10H2,1-2H3.
What are the key properties of 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine?
3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 91806525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).