[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine

C12H26N2O3 — CID 103184117

IUPAC[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine
SMILESCOCCCOCCN1CC(C)OC(CN)C1
InChIInChI=1S/C12H26N2O3/c1-11-9-14(10-12(8-13)17-11)4-7-16-6-3-5-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyDXGFURULFIGWJK-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.09
Rot. Bonds8

About [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine

[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine (PubChem CID 103184117) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine
PubChem CID103184117
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine
SMILESCOCCCOCCN1CC(C)OC(CN)C1
InChIInChI=1S/C12H26N2O3/c1-11-9-14(10-12(8-13)17-11)4-7-16-6-3-5-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyDXGFURULFIGWJK-UHFFFAOYSA-N
XLogP0.09
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Aminopropyl)morpholine
CID 61055
1-Amino-3-(morpholin-4-yl)propan-2-ol
CID 2832231
(4-(2-Methylpropyl)morpholin-2-yl)methanamine
CID 4962206
Dimethyl-morpholin-2-ylmethyl-amine
CID 3401489
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
(4-Methylmorpholin-2-yl)methanamine
CID 3922133
Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
Butyl-(3-morpholin-4-yl-propyl)-amine
CID 3151943
4-[(2R)-3-Amino-2-hydroxyprop-1-yl]morpholine
CID 1380974
1-((2S)-4-methylmorpholin-2-yl)methanamine
CID 1415546
2-(2,6-Dimethylmorpholin-4-yl)ethanamine
CID 2756423
1-(Methylamino)-3-(morpholin-4-yl)propan-2-ol
CID 4001215

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine (CID 103184117) is [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine is COCCCOCCN1CC(C)OC(CN)C1.
What is the InChIKey of [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine?
The InChIKey is DXGFURULFIGWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11-9-14(10-12(8-13)17-11)4-7-16-6-3-5-15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine?
[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 0.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 103184117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).