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

C11H19NO — CID 91016545

IUPAC2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)OC1=CCC=CC1
InChIInChI=1S/C11H19NO/c1-10(9-12(2)3)13-11-7-5-4-6-8-11/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyAPCUKHPGIVLMGD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds4

About 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine

2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine (PubChem CID 91016545) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine
PubChem CID91016545
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)OC1=CCC=CC1
InChIInChI=1S/C11H19NO/c1-10(9-12(2)3)13-11-7-5-4-6-8-11/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyAPCUKHPGIVLMGD-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine (CID 91016545) is 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine is CC(CN(C)C)OC1=CCC=CC1.
What is the InChIKey of 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine?
The InChIKey is APCUKHPGIVLMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(9-12(2)3)13-11-7-5-4-6-8-11/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine?
2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,4-dien-1-yloxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 91016545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).