N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine

C12H27N3O — CID 107912675

IUPACN,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine
SMILESCCN(CC)CCN1CCOCC1CNC
InChIInChI=1S/C12H27N3O/c1-4-14(5-2)6-7-15-8-9-16-11-12(15)10-13-3/h12-13H,4-11H2,1-3H3
InChIKeyQIXKZRVWCOUEFQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds7

About N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine

N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine (PubChem CID 107912675) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine
PubChem CID107912675
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine
SMILESCCN(CC)CCN1CCOCC1CNC
InChIInChI=1S/C12H27N3O/c1-4-14(5-2)6-7-15-8-9-16-11-12(15)10-13-3/h12-13H,4-11H2,1-3H3
InChIKeyQIXKZRVWCOUEFQ-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine
CID 83099643
N-methyl-1-(4-octylmorpholin-3-yl)methanamine
CID 83099737
1-[4-(2-cyclopropylethyl)morpholin-3-yl]-N-methylmethanamine
CID 83099903
1-[4-(3-methoxypropyl)morpholin-3-yl]-N-methylmethanamine
CID 83100394
N-methyl-1-[4-(2-propan-2-yloxyethyl)morpholin-3-yl]methanamine
CID 83100152
N-methyl-1-[4-(2-propan-2-ylsulfonylethyl)morpholin-3-yl]methanamine
CID 106725865
N-methyl-1-[4-[3-(oxolan-2-yl)propyl]morpholin-3-yl]methanamine
CID 83099650
N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine
CID 83100391
1-[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]-N-methylmethanamine
CID 83100712
N-methyl-1-[4-(2-thiophen-3-ylethyl)morpholin-3-yl]methanamine
CID 83100638
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321
1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 83100798

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine (CID 107912675) is N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine is CCN(CC)CCN1CCOCC1CNC.
What is the InChIKey of N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine?
The InChIKey is QIXKZRVWCOUEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-14(5-2)6-7-15-8-9-16-11-12(15)10-13-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine?
N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(methylaminomethyl)morpholin-4-yl]ethanamine is sourced from PubChem (CID 107912675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).