N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine

C13H29N3O — CID 164568142

IUPACN-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCN1CCO[C@H](CCN)C1
InChIInChI=1S/C13H29N3O/c1-12(2)10-15(3)6-7-16-8-9-17-13(11-16)4-5-14/h12-13H,4-11,14H2,1-3H3/t13-/m1/s1
InChIKeyMTIHIYOFHZHXAH-CYBMUJFWSA-N
MW243.39 g/mol
LogP0.62
Rot. Bonds7

About N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine

N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine (PubChem CID 164568142) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
PubChem CID164568142
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCN1CCO[C@H](CCN)C1
InChIInChI=1S/C13H29N3O/c1-12(2)10-15(3)6-7-16-8-9-17-13(11-16)4-5-14/h12-13H,4-11,14H2,1-3H3/t13-/m1/s1
InChIKeyMTIHIYOFHZHXAH-CYBMUJFWSA-N
XLogP0.62
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 155750922
N-[2-[(2R)-2-[2-(ethylamino)ethyl]morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 167191852
1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
CID 170115847
N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
CID 161322486
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
CID 170952081
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 166800661
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen
CID 171539494

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine (CID 164568142) is N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)CCN1CCO[C@H](CCN)C1.
What is the InChIKey of N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine?
The InChIKey is MTIHIYOFHZHXAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(2)10-15(3)6-7-16-8-9-17-13(11-16)4-5-14/h12-13H,4-11,14H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine?
N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 164568142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).