N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine

C23H48N2O2 — CID 166800930

IUPACN-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
SMILESCCCC(C)(C)CCCOCCN1CCOC(CNCC(C)(CC)CC)C1
InChIInChI=1S/C23H48N2O2/c1-7-11-22(4,5)12-10-15-26-16-13-25-14-17-27-21(19-25)18-24-20-23(6,8-2)9-3/h21,24H,7-20H2,1-6H3
InChIKeyAQPBQOJZEGWMDG-UHFFFAOYSA-N
MW384.65 g/mol
LogP4.73
Rot. Bonds15

About N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine

N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine (PubChem CID 166800930) has the molecular formula C23H48N2O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
PubChem CID166800930
Molecular FormulaC23H48N2O2
Molecular Weight384.65 g/mol
Exact Mass384.37
IUPAC NameN-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
SMILESCCCC(C)(C)CCCOCCN1CCOC(CNCC(C)(CC)CC)C1
InChIInChI=1S/C23H48N2O2/c1-7-11-22(4,5)12-10-15-26-16-13-25-14-17-27-21(19-25)18-24-20-23(6,8-2)9-3/h21,24H,7-20H2,1-6H3
InChIKeyAQPBQOJZEGWMDG-UHFFFAOYSA-N
XLogP4.73
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.73
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

N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
CID 170091257
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
CID 158651768
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924
N-[[(2R)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2,5,5-trimethyl-8-[2-[2-[(2-methylpropanoylamino)methyl]morpholin-4-yl]ethoxy]octanamide
CID 170057233
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide
CID 170249660
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine?
The IUPAC name of N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine (CID 166800930) is N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine?
The canonical SMILES for N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine is CCCC(C)(C)CCCOCCN1CCOC(CNCC(C)(CC)CC)C1.
What is the InChIKey of N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine?
The InChIKey is AQPBQOJZEGWMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O2/c1-7-11-22(4,5)12-10-15-26-16-13-25-14-17-27-21(19-25)18-24-20-23(6,8-2)9-3/h21,24H,7-20H2,1-6H3.
What are the key properties of N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine?
N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine has a molecular weight of 384.65 g/mol, XLogP of 4.73, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 166800930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).