2-dodecyl-2-prop-2-enylmorpholine

C19H37NO — CID 21391577

IUPAC2-dodecyl-2-prop-2-enylmorpholine
SMILESC=CCC1(CCCCCCCCCCCC)CNCCO1
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-15-19(14-4-2)18-20-16-17-21-19/h4,20H,2-3,5-18H2,1H3
InChIKeyYTVIVDFLGDRBPQ-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.23
Rot. Bonds13

About 2-dodecyl-2-prop-2-enylmorpholine

2-dodecyl-2-prop-2-enylmorpholine (PubChem CID 21391577) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-dodecyl-2-prop-2-enylmorpholine.

Molecular Properties

Compound Name2-dodecyl-2-prop-2-enylmorpholine
PubChem CID21391577
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2-dodecyl-2-prop-2-enylmorpholine
SMILESC=CCC1(CCCCCCCCCCCC)CNCCO1
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-15-19(14-4-2)18-20-16-17-21-19/h4,20H,2-3,5-18H2,1H3
InChIKeyYTVIVDFLGDRBPQ-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dodecyl-2-prop-2-enylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Didodecylmorpholine
CID 66616600
2,2-Dihexylmorpholine
CID 67228855
4-(6-Propyldec-1-en-4-yloxy)piperidine
CID 68084406
2-Hept-1-en-3-ylmorpholine
CID 68588233
2-Hex-1-en-3-ylmorpholine
CID 68590103
2-Ethenyl-2-pentylmorpholine
CID 69215814
2-Ethyl-2-hexadecylmorpholine
CID 69724633
(3S,5R)-3-methyl-5-[4-[(2S)-pent-4-en-2-yl]cyclohexyl]oxypiperidine
CID 143196218
4-(1-Dec-9-enoxyethyl)piperidine
CID 144226401
2-Butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine
CID 164875993
N-[2-[(E)-4,4-dimethyldocos-13-en-2-yl]oxy-2-methylpropyl]-3,3-dimethylpentan-1-amine
CID 166963240
2,2-bis[(Z)-octadec-9-enyl]morpholine;hydrochloride
CID 173193982

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-prop-2-enylmorpholine?
The IUPAC name of 2-dodecyl-2-prop-2-enylmorpholine (CID 21391577) is 2-dodecyl-2-prop-2-enylmorpholine.
What is the SMILES notation for 2-dodecyl-2-prop-2-enylmorpholine?
The canonical SMILES for 2-dodecyl-2-prop-2-enylmorpholine is C=CCC1(CCCCCCCCCCCC)CNCCO1.
What is the InChIKey of 2-dodecyl-2-prop-2-enylmorpholine?
The InChIKey is YTVIVDFLGDRBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-15-19(14-4-2)18-20-16-17-21-19/h4,20H,2-3,5-18H2,1H3.
What are the key properties of 2-dodecyl-2-prop-2-enylmorpholine?
2-dodecyl-2-prop-2-enylmorpholine has a molecular weight of 295.51 g/mol, XLogP of 5.23, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-prop-2-enylmorpholine is sourced from PubChem (CID 21391577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).