2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine

C16H21NO — CID 142152877

IUPAC2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine
SMILESCNCCC1=CC=C(OC2=CCCC=C2)C2CC12
InChIInChI=1S/C16H21NO/c1-17-10-9-12-7-8-16(15-11-14(12)15)18-13-5-3-2-4-6-13/h3,5-8,14-15,17H,2,4,9-11H2,1H3
InChIKeyUJUGYEWKABWUAR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.31
Rot. Bonds5

About 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine

2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine (PubChem CID 142152877) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine
PubChem CID142152877
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine
SMILESCNCCC1=CC=C(OC2=CCCC=C2)C2CC12
InChIInChI=1S/C16H21NO/c1-17-10-9-12-7-8-16(15-11-14(12)15)18-13-5-3-2-4-6-13/h3,5-8,14-15,17H,2,4,9-11H2,1H3
InChIKeyUJUGYEWKABWUAR-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine with MolForge

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Related Compounds

3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine
CID 130373192
3-[3-(Cyclohexylmethoxy)cyclohepta-1,3,5-trien-1-yl]propan-1-amine
CID 130373341
2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine
CID 142283425
9-methoxy-6-methyl-2,5,6,7-tetrahydro-1H-benzo[7]annulene;N-methylbutan-1-amine
CID 144347340
(E)-2-[(Z)-3-(1-cyclohexylethenoxy)prop-1-enyl]-N-[6-[(3E)-hexa-1,3-dien-3-yl]oxyhexyl]pent-2-en-1-amine
CID 144925486
2-[2-[(2R)-1-(4-methoxycyclobuta-1,3-dien-1-yl)propan-2-yl]cyclohexen-1-yl]-N-methylethanamine
CID 163898762

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine?
The IUPAC name of 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine (CID 142152877) is 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine?
The canonical SMILES for 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine is CNCCC1=CC=C(OC2=CCCC=C2)C2CC12.
What is the InChIKey of 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine?
The InChIKey is UJUGYEWKABWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-17-10-9-12-7-8-16(15-11-14(12)15)18-13-5-3-2-4-6-13/h3,5-8,14-15,17H,2,4,9-11H2,1H3.
What are the key properties of 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine?
2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine is sourced from PubChem (CID 142152877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).