N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine

C13H28N2O — CID 60850473

IUPACN-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
SMILESCCC1CN(CCCNC(C)(C)C)CCO1
InChIInChI=1S/C13H28N2O/c1-5-12-11-15(9-10-16-12)8-6-7-14-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyKYMCMECEOCNTGH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds5

About N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine

N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine (PubChem CID 60850473) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
PubChem CID60850473
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
SMILESCCC1CN(CCCNC(C)(C)C)CCO1
InChIInChI=1S/C13H28N2O/c1-5-12-11-15(9-10-16-12)8-6-7-14-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyKYMCMECEOCNTGH-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
4-dodecyl-2-ethylmorpholine
CID 4616518
N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-methylpropan-2-amine
CID 162424315
5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
CID 65254891
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64795537
2-methyl-N-[3-[(2R)-4-methylmorpholin-2-yl]propyl]propan-2-amine
CID 162424215
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
N-[2-(2-ethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60853221
2,4-diethylmorpholine
CID 58988021
6-(2-ethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64795976
5-(2-ethylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82017099

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine (CID 60850473) is N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine is CCC1CN(CCCNC(C)(C)C)CCO1.
What is the InChIKey of N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is KYMCMECEOCNTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-12-11-15(9-10-16-12)8-6-7-14-13(2,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine?
N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60850473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).