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

C13H28N2O — CID 62561761

IUPACN-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine
SMILESCCC1COCCN1CCNCCC(C)C
InChIInChI=1S/C13H28N2O/c1-4-13-11-16-10-9-15(13)8-7-14-6-5-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyFSLGZGOXIDFKGY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

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

N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine (PubChem CID 62561761) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine
PubChem CID62561761
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine
SMILESCCC1COCCN1CCNCCC(C)C
InChIInChI=1S/C13H28N2O/c1-4-13-11-16-10-9-15(13)8-7-14-6-5-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyFSLGZGOXIDFKGY-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
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-(cyclopentylmethyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 55089657
2-(3-ethylmorpholin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62559706
1-cyclopropyl-N-[2-(3-ethylmorpholin-4-yl)ethyl]ethanamine
CID 62560823
N-[3-(3-ethylmorpholin-4-yl)propyl]cyclopropanamine
CID 60867675
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746
4-(3-chloropropyl)-3-ethylmorpholine
CID 61288570
4-(3-bromopropyl)-3-ethylmorpholine
CID 61288372
N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62392364
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588
N-[4-(3-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62432568
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
4-(3-bromo-2-methylpropyl)-3-ethylmorpholine
CID 64996341

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine (CID 62561761) is N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine is CCC1COCCN1CCNCCC(C)C.
What is the InChIKey of N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine?
The InChIKey is FSLGZGOXIDFKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13-11-16-10-9-15(13)8-7-14-6-5-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine?
N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62561761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).