N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine

C11H20N2O — CID 138728331

IUPACN,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine
SMILESC#CCN1CCO[C@@H](CCN(C)C)C1
InChIInChI=1S/C11H20N2O/c1-4-6-13-8-9-14-11(10-13)5-7-12(2)3/h1,11H,5-10H2,2-3H3/t11-/m0/s1
InChIKeyHBISITAGNHSHMZ-NSHDSACASA-N
MW196.29 g/mol
LogP0.27
Rot. Bonds4

About N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine

N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine (PubChem CID 138728331) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine
PubChem CID138728331
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine
SMILESC#CCN1CCO[C@@H](CCN(C)C)C1
InChIInChI=1S/C11H20N2O/c1-4-6-13-8-9-14-11(10-13)5-7-12(2)3/h1,11H,5-10H2,2-3H3/t11-/m0/s1
InChIKeyHBISITAGNHSHMZ-NSHDSACASA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-prop-2-ynylmorpholin-2-yl)methanol
CID 79833462
methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate
CID 176596348
2-(2-propylmorpholin-4-yl)acetonitrile
CID 130694336
5-[[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 28729555
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
CID 114526695
N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine
CID 29087188
4-ethyl-2-propylmorpholine
CID 127673597
ethane;4-prop-2-ynylmorpholine
CID 144709407
N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine
CID 138727292
1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
CID 170115847
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 79164421

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine (CID 138728331) is N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine is C#CCN1CCO[C@@H](CCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine?
The InChIKey is HBISITAGNHSHMZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-13-8-9-14-11(10-13)5-7-12(2)3/h1,11H,5-10H2,2-3H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine?
N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine has a molecular weight of 196.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine is sourced from PubChem (CID 138728331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).