N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine

C12H28N2O — CID 169215022

IUPACN-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine
SMILESC=CCN1CCOCC1.CCNC(C)C.[H][H]
InChIInChI=1S/C7H13NO.C5H13N.H2/c1-2-3-8-4-6-9-7-5-8;1-4-6-5(2)3;/h2H,1,3-7H2;5-6H,4H2,1-3H3;1H
InChIKeyOTHUXTCXDIQCBH-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.75
Rot. Bonds4

About N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine

N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine (PubChem CID 169215022) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine.

Molecular Properties

Compound NameN-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine
PubChem CID169215022
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine
SMILESC=CCN1CCOCC1.CCNC(C)C.[H][H]
InChIInChI=1S/C7H13NO.C5H13N.H2/c1-2-3-8-4-6-9-7-5-8;1-4-6-5(2)3;/h2H,1,3-7H2;5-6H,4H2,1-3H3;1H
InChIKeyOTHUXTCXDIQCBH-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-allylmorpholinium chloride
CID 20536839
4-Allylmorpholin-4-ium bromide
CID 12977405
3,5-Dimethylmorpholine;ethene
CID 22465833
4-ethylmorpholine;N-propan-2-ylpropan-2-amine
CID 23168240
N-2-Propen-1-yl-4-morpholineethanamine
CID 28563520
3-morpholin-4-yl-N-prop-2-enylpropan-1-amine
CID 60684409
4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
CID 68543856
4-Morpholin-4-ylbut-2-en-1-amine
CID 77110874
3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine
CID 88689182
N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine
CID 88867286
N-methyl-3-morpholin-4-ylprop-1-en-1-amine
CID 89075262
Morpholine;prop-2-en-1-amine
CID 90405942

Frequently Asked Questions

What is the IUPAC name of N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine?
The IUPAC name of N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine (CID 169215022) is N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine.
What is the SMILES notation for N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine?
The canonical SMILES for N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine is C=CCN1CCOCC1.CCNC(C)C.[H][H].
What is the InChIKey of N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine?
The InChIKey is OTHUXTCXDIQCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H13N.H2/c1-2-3-8-4-6-9-7-5-8;1-4-6-5(2)3;/h2H,1,3-7H2;5-6H,4H2,1-3H3;1H.
What are the key properties of N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine?
N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine has a molecular weight of 216.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropan-2-amine;molecular hydrogen;4-prop-2-enylmorpholine is sourced from PubChem (CID 169215022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).