6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine

C23H38N2O3 — CID 59905133

IUPAC6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine
SMILESC/C=C/COc1cc(C)c(OCCCCCCNC/C(CC)=N/OC)c(C)c1
InChIInChI=1S/C23H38N2O3/c1-6-8-14-27-22-16-19(3)23(20(4)17-22)28-15-12-10-9-11-13-24-18-21(7-2)25-26-5/h6,8,16-17,24H,7,9-15,18H2,1-5H3/b8-6+,25-21+
InChIKeySXDKNPWDLXRLES-KZIJYRRFSA-N
MW390.57 g/mol
LogP5.20
Rot. Bonds15

About 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine

6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine (PubChem CID 59905133) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine.

Molecular Properties

Compound Name6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine
PubChem CID59905133
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine
SMILESC/C=C/COc1cc(C)c(OCCCCCCNC/C(CC)=N/OC)c(C)c1
InChIInChI=1S/C23H38N2O3/c1-6-8-14-27-22-16-19(3)23(20(4)17-22)28-15-12-10-9-11-13-24-18-21(7-2)25-26-5/h6,8,16-17,24H,7,9-15,18H2,1-5H3/b8-6+,25-21+
InChIKeySXDKNPWDLXRLES-KZIJYRRFSA-N
XLogP5.20
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-(2-methoxyiminopropyl)hexan-1-amine
CID 90730400
6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyimino-3-phenylpropyl]hexan-1-amine
CID 22963243
(E)-1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3,5-dimethylphenyl]-N-methoxyethanimine
CID 22962827
3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-(2-methoxyiminoethyl)propan-1-amine
CID 161425468
(E)-4-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-N-methoxybutan-2-imine
CID 23379616
(E)-1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentyl]phenyl]-N-methoxypropan-1-imine
CID 59905158
1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxyethanimine
CID 158579292
(E)-1-[4-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]phenyl]-N-methoxyethanimine
CID 22962874
(E)-2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-N-methoxy-1-(4-methylphenyl)ethanimine
CID 23379558
(E)-2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1-(4-chlorophenyl)-N-methoxyethanimine
CID 23379552
5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-ethyl-N-[(2E)-2-methoxyiminopropyl]pentan-1-amine
CID 22963231
1-[4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-2,5-dimethylphenyl]-N-methoxyethanimine
CID 160806894

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine?
The IUPAC name of 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine (CID 59905133) is 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine.
What is the SMILES notation for 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine?
The canonical SMILES for 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine is C/C=C/COc1cc(C)c(OCCCCCCNC/C(CC)=N/OC)c(C)c1.
What is the InChIKey of 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine?
The InChIKey is SXDKNPWDLXRLES-KZIJYRRFSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-6-8-14-27-22-16-19(3)23(20(4)17-22)28-15-12-10-9-11-13-24-18-21(7-2)25-26-5/h6,8,16-17,24H,7,9-15,18H2,1-5H3/b8-6+,25-21+.
What are the key properties of 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine?
6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine has a molecular weight of 390.57 g/mol, XLogP of 5.20, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-N-[(2E)-2-methoxyiminobutyl]hexan-1-amine is sourced from PubChem (CID 59905133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).