3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine

C23H47NO — CID 126611599

IUPAC3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCCCCCCCC/C=C/CCCCCCOCC(C)CNC(C)C
InChIInChI=1S/C23H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-23(4)20-24-22(2)3/h12-13,22-24H,5-11,14-21H2,1-4H3/b13-12+
InChIKeyQIQSOOHIJOLHMT-OUKQBFOZSA-N
MW353.63 g/mol
LogP6.89
Rot. Bonds19

About 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine

3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 126611599) has the molecular formula C23H47NO and a molecular weight of 353.63 g/mol. Its IUPAC name is 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID126611599
Molecular FormulaC23H47NO
Molecular Weight353.63 g/mol
Exact Mass353.37
IUPAC Name3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCCCCCCCC/C=C/CCCCCCOCC(C)CNC(C)C
InChIInChI=1S/C23H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-23(4)20-24-22(2)3/h12-13,22-24H,5-11,14-21H2,1-4H3/b13-12+
InChIKeyQIQSOOHIJOLHMT-OUKQBFOZSA-N
XLogP6.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.63
LogP ≤ 56.89
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-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-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

N-[3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]butan-1-amine
CID 58391201
3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine
CID 87519160
(2R,12Z,15Z)-1-hexoxy-N-methylhenicosa-12,15-dien-2-amine
CID 88559669
N-methyl-3-[(10Z,13Z)-16-methyloctadeca-10,13-dienoxy]propan-1-amine
CID 88890815
3-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]oxy-N-methylpropan-1-amine
CID 89074555
N-[2-[(Z)-octadec-9-enoxy]ethyl]propan-1-amine
CID 89556351
N-[2-[(9Z,12Z)-octadeca-9,12-dienoxy]ethyl]propan-1-amine
CID 89556352
3-[(9Z,28Z)-heptatriaconta-9,28-dien-19-yl]oxy-N-methylpropan-1-amine
CID 89567693
3-[(3Z,6Z,9Z,28Z,31Z,34Z)-heptatriaconta-3,6,9,28,31,34-hexaen-19-yl]oxy-N-methylpropan-1-amine
CID 89567733
3-[(6E,9E,28E,31E)-heptatriaconta-6,9,28,31-tetraen-19-yl]oxy-N-methylpropan-1-amine
CID 89567734
3-[(Z)-octadec-9-enoxy]-N-[3-[(Z)-octadec-9-enoxy]propyl]propan-1-amine
CID 89814786
(2S)-N-methyl-1-[(9Z,12Z)-octadeca-9,12-dienoxy]undecan-2-amine
CID 89850546

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine (CID 126611599) is 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine is CCCCCCCC/C=C/CCCCCCOCC(C)CNC(C)C.
What is the InChIKey of 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is QIQSOOHIJOLHMT-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-23(4)20-24-22(2)3/h12-13,22-24H,5-11,14-21H2,1-4H3/b13-12+.
What are the key properties of 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine?
3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 353.63 g/mol, XLogP of 6.89, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hexadec-7-enoxy]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 126611599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).