N,N-dimethyl-1-prop-2-enoxyethanamine

C7H15NO — CID 22916505

IUPACN,N-dimethyl-1-prop-2-enoxyethanamine
SMILESC=CCOC(C)N(C)C
InChIInChI=1S/C7H15NO/c1-5-6-9-7(2)8(3)4/h5,7H,1,6H2,2-4H3
InChIKeyVDXHTNUIHHPZKY-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.10
Rot. Bonds4

About N,N-dimethyl-1-prop-2-enoxyethanamine

N,N-dimethyl-1-prop-2-enoxyethanamine (PubChem CID 22916505) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N,N-dimethyl-1-prop-2-enoxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-prop-2-enoxyethanamine
PubChem CID22916505
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN,N-dimethyl-1-prop-2-enoxyethanamine
SMILESC=CCOC(C)N(C)C
InChIInChI=1S/C7H15NO/c1-5-6-9-7(2)8(3)4/h5,7H,1,6H2,2-4H3
InChIKeyVDXHTNUIHHPZKY-UHFFFAOYSA-N
XLogP1.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

n,n-Dimethyl-2-(prop-2-en-1-yloxy)ethanamine
CID 261277
N,N-dimethyl-1-prop-2-enoxyethenamine
CID 134863305
(Allyloxymethyl)triethylammonium iodide
CID 3026346
Allyloxymethyltrimethylammonium iodide
CID 3026348
Trimethyl(prop-2-enoxymethyl)azanium
CID 3026349
1-Methoxy-N,N-dimethylprop-2-en-1-amine
CID 13215411
3-(allyloxy)-N,N-dimethylpropan-1-amine
CID 22650008
(E)-N-ethyl-3-methoxy-N-methylprop-1-en-1-amine
CID 59430611
3-Methyl-2,6-dihydro-1,3-oxazine
CID 70611351
N-ethyl-3-methoxy-N-methylprop-1-en-1-amine
CID 72296862
Trimethyl(3-prop-2-enoxypropyl)azanium
CID 87064812
Trimethyl(1-prop-2-enoxypropyl)azanium
CID 87064813

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-prop-2-enoxyethanamine?
The IUPAC name of N,N-dimethyl-1-prop-2-enoxyethanamine (CID 22916505) is N,N-dimethyl-1-prop-2-enoxyethanamine.
What is the SMILES notation for N,N-dimethyl-1-prop-2-enoxyethanamine?
The canonical SMILES for N,N-dimethyl-1-prop-2-enoxyethanamine is C=CCOC(C)N(C)C.
What is the InChIKey of N,N-dimethyl-1-prop-2-enoxyethanamine?
The InChIKey is VDXHTNUIHHPZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6-9-7(2)8(3)4/h5,7H,1,6H2,2-4H3.
What are the key properties of N,N-dimethyl-1-prop-2-enoxyethanamine?
N,N-dimethyl-1-prop-2-enoxyethanamine has a molecular weight of 129.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-prop-2-enoxyethanamine is sourced from PubChem (CID 22916505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).