N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine

C23H40N2O2 — CID 22567895

IUPACN-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine
SMILESCOCCN(C)CCCCCCOC1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C23H40N2O2/c1-25(17-19-26-2)16-8-3-4-9-18-27-23-14-12-22(13-15-23)24-20-21-10-6-5-7-11-21/h5-7,10-11,22-24H,3-4,8-9,12-20H2,1-2H3
InChIKeyCOYUTUWUNQJMQG-UHFFFAOYSA-N
MW376.59 g/mol
LogP4.24
Rot. Bonds14

About N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine

N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine (PubChem CID 22567895) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine
PubChem CID22567895
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC NameN-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine
SMILESCOCCN(C)CCCCCCOC1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C23H40N2O2/c1-25(17-19-26-2)16-8-3-4-9-18-27-23-14-12-22(13-15-23)24-20-21-10-6-5-7-11-21/h5-7,10-11,22-24H,3-4,8-9,12-20H2,1-2H3
InChIKeyCOYUTUWUNQJMQG-UHFFFAOYSA-N
XLogP4.24
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 43675806
CID 44146292
CID 44146292
CID 71884416
CID 71884416
CID 75427748
CID 75427748
CID 13801646
CID 13801646
CID 75480623
CID 75480623
CID 122163726
CID 122163726
CID 132398984
CID 132398984

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine?
The IUPAC name of N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine (CID 22567895) is N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine.
What is the SMILES notation for N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine?
The canonical SMILES for N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine is COCCN(C)CCCCCCOC1CCC(NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine?
The InChIKey is COYUTUWUNQJMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2/c1-25(17-19-26-2)16-8-3-4-9-18-27-23-14-12-22(13-15-23)24-20-21-10-6-5-7-11-21/h5-7,10-11,22-24H,3-4,8-9,12-20H2,1-2H3.
What are the key properties of N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine?
N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine has a molecular weight of 376.59 g/mol, XLogP of 4.24, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[6-[2-methoxyethyl(methyl)amino]hexoxy]cyclohexan-1-amine is sourced from PubChem (CID 22567895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).