4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine

C16H27NO — CID 173190839

IUPAC4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine
SMILESCCCC(C)C1(CN2CCOCC2)C=CC=CC1
InChIInChI=1S/C16H27NO/c1-3-7-15(2)16(8-5-4-6-9-16)14-17-10-12-18-13-11-17/h4-6,8,15H,3,7,9-14H2,1-2H3
InChIKeyUYOIUKDCIIJCDA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.26
Rot. Bonds5

About 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine

4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine (PubChem CID 173190839) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine
PubChem CID173190839
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine
SMILESCCCC(C)C1(CN2CCOCC2)C=CC=CC1
InChIInChI=1S/C16H27NO/c1-3-7-15(2)16(8-5-4-6-9-16)14-17-10-12-18-13-11-17/h4-6,8,15H,3,7,9-14H2,1-2H3
InChIKeyUYOIUKDCIIJCDA-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine (CID 173190839) is 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine is CCCC(C)C1(CN2CCOCC2)C=CC=CC1.
What is the InChIKey of 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The InChIKey is UYOIUKDCIIJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-7-15(2)16(8-5-4-6-9-16)14-17-10-12-18-13-11-17/h4-6,8,15H,3,7,9-14H2,1-2H3.
What are the key properties of 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine has a molecular weight of 249.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 173190839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).