3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine

C20H29NO — CID 144567389

IUPAC3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine
SMILESC=C(C)C1=C(C(=C)C(C)N2CCOCC2(C)C)C=CCC=C1
InChIInChI=1S/C20H29NO/c1-15(2)18-10-8-7-9-11-19(18)16(3)17(4)21-12-13-22-14-20(21,5)6/h8-11,17H,1,3,7,12-14H2,2,4-6H3
InChIKeyAUBVCNVTEZNENH-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.43
Rot. Bonds4

About 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine

3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine (PubChem CID 144567389) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine
PubChem CID144567389
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine
SMILESC=C(C)C1=C(C(=C)C(C)N2CCOCC2(C)C)C=CCC=C1
InChIInChI=1S/C20H29NO/c1-15(2)18-10-8-7-9-11-19(18)16(3)17(4)21-12-13-22-14-20(21,5)6/h8-11,17H,1,3,7,12-14H2,2,4-6H3
InChIKeyAUBVCNVTEZNENH-UHFFFAOYSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141129564
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4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
CID 82986575
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
CID 61428323
N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
CID 61427964
3-amino-2-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 104710885
2-(3,3-dimethylmorpholin-4-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 61429670
N-[2-(3,3-dimethylmorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 62461681
2-(3,3-dimethylmorpholin-4-yl)-2-phenylethanamine
CID 61429869
3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81019120
2-(3,3-dimethylmorpholin-4-yl)-2-phenylacetohydrazide
CID 55213078
2-(3,3-dimethylmorpholin-4-yl)-N-propylpropan-1-amine
CID 62461496

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine?
The IUPAC name of 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine (CID 144567389) is 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine.
What is the SMILES notation for 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine?
The canonical SMILES for 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine is C=C(C)C1=C(C(=C)C(C)N2CCOCC2(C)C)C=CCC=C1.
What is the InChIKey of 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine?
The InChIKey is AUBVCNVTEZNENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-15(2)18-10-8-7-9-11-19(18)16(3)17(4)21-12-13-22-14-20(21,5)6/h8-11,17H,1,3,7,12-14H2,2,4-6H3.
What are the key properties of 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine?
3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine has a molecular weight of 299.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[3-(2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)but-3-en-2-yl]morpholine is sourced from PubChem (CID 144567389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).