3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine

C23H47NO — CID 154265391

IUPAC3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine
SMILESCC(=CCOCCCN)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C23H47NO/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-19-25-18-9-17-24/h16,20-22H,6-15,17-19,24H2,1-5H3/t21-,22-/m1/s1
InChIKeySJPMEVZDUVUWBA-FGZHOGPDSA-N
MW353.64 g/mol
LogP6.74
Rot. Bonds17

About 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine

3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine (PubChem CID 154265391) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine
PubChem CID154265391
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine
SMILESCC(=CCOCCCN)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C23H47NO/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-19-25-18-9-17-24/h16,20-22H,6-15,17-19,24H2,1-5H3/t21-,22-/m1/s1
InChIKeySJPMEVZDUVUWBA-FGZHOGPDSA-N
XLogP6.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 56.74
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 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine 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

(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(2R,3S)-4-(3,7,11,15-tetramethylhexadec-2-enoxy)butane-1,2,3-triol
CID 123911046
CID 160640482
CID 160640482
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
bis[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] decanedioate
CID 173326109
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] prop-2-enoate
CID 139683375
[(Z)-3,7,11,15-tetramethylhexadec-2-enyl] (Z)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840687
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]octadecane;1-(3,7,11-trimethyldodecoxy)octadecane
CID 159018519
2-(hydroxymethyl)-2-(5,9,13-trimethyltetradec-4-enoxymethyl)propane-1,3-diol
CID 75995745
3-(5,9,13-trimethyltetradec-4-enoxy)propane-1,2-diol
CID 75995743

Frequently Asked Questions

What is the IUPAC name of 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine?
The IUPAC name of 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine (CID 154265391) is 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine.
What is the SMILES notation for 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine?
The canonical SMILES for 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine is CC(=CCOCCCN)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine?
The InChIKey is SJPMEVZDUVUWBA-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H47NO/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-19-25-18-9-17-24/h16,20-22H,6-15,17-19,24H2,1-5H3/t21-,22-/m1/s1.
What are the key properties of 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine?
3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine has a molecular weight of 353.64 g/mol, XLogP of 6.74, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propan-1-amine is sourced from PubChem (CID 154265391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).