N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine

C14H30N2O2 — CID 55089270

IUPACN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCN1CCOCC1(C)C
InChIInChI=1S/C14H30N2O2/c1-4-17-11-6-5-7-15-8-9-16-10-12-18-13-14(16,2)3/h15H,4-13H2,1-3H3
InChIKeyURBPHVOMQDINMK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds9

About N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine (PubChem CID 55089270) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine
PubChem CID55089270
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCN1CCOCC1(C)C
InChIInChI=1S/C14H30N2O2/c1-4-17-11-6-5-7-15-8-9-16-10-12-18-13-14(16,2)3/h15H,4-13H2,1-3H3
InChIKeyURBPHVOMQDINMK-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
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

2-(3,3-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 62558951
4-(3,3-dimethylmorpholin-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62562752
5-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62461860
3-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 61430784
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62556525
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-methylcyclohexan-1-amine
CID 62557218
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
1-(3,3-dimethylmorpholin-4-yl)-3-ethoxypropan-2-ol
CID 63932943
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine?
The IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine (CID 55089270) is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine.
What is the SMILES notation for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine?
The canonical SMILES for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine is CCOCCCCNCCN1CCOCC1(C)C.
What is the InChIKey of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine?
The InChIKey is URBPHVOMQDINMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-17-11-6-5-7-15-8-9-16-10-12-18-13-14(16,2)3/h15H,4-13H2,1-3H3.
What are the key properties of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine?
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-ethoxybutan-1-amine is sourced from PubChem (CID 55089270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).