N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine

C13H28N2O2 — CID 103033653

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
SMILESCCN1CCOC(CNCCC(C)(C)OC)C1
InChIInChI=1S/C13H28N2O2/c1-5-15-8-9-17-12(11-15)10-14-7-6-13(2,3)16-4/h12,14H,5-11H2,1-4H3
InChIKeyNRESFSJHMOSKLP-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds7

About N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine

N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033653) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
PubChem CID103033653
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
SMILESCCN1CCOC(CNCCC(C)(C)OC)C1
InChIInChI=1S/C13H28N2O2/c1-5-15-8-9-17-12(11-15)10-14-7-6-13(2,3)16-4/h12,14H,5-11H2,1-4H3
InChIKeyNRESFSJHMOSKLP-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-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-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine (CID 103033653) is N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine is CCN1CCOC(CNCCC(C)(C)OC)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine?
The InChIKey is NRESFSJHMOSKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-15-8-9-17-12(11-15)10-14-7-6-13(2,3)16-4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).