N,N-dimethyl-1-prop-2-enoxyethenamine

C7H13NO — CID 134863305

IUPACN,N-dimethyl-1-prop-2-enoxyethenamine
SMILESC=CCOC(=C)N(C)C
InChIInChI=1S/C7H13NO/c1-5-6-9-7(2)8(3)4/h5H,1-2,6H2,3-4H3
InChIKeyDBEDQSPZBDURCS-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.22
Rot. Bonds4

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

N,N-dimethyl-1-prop-2-enoxyethenamine (PubChem CID 134863305) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N,N-dimethyl-1-prop-2-enoxyethenamine.

Molecular Properties

Compound NameN,N-dimethyl-1-prop-2-enoxyethenamine
PubChem CID134863305
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN,N-dimethyl-1-prop-2-enoxyethenamine
SMILESC=CCOC(=C)N(C)C
InChIInChI=1S/C7H13NO/c1-5-6-9-7(2)8(3)4/h5H,1-2,6H2,3-4H3
InChIKeyDBEDQSPZBDURCS-UHFFFAOYSA-N
XLogP1.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trimethyl(prop-2-enoxymethyl)azanium
CID 3026349
N,N-dimethyl-1-prop-2-enoxyethanamine
CID 22916505
(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
N,N-dimethyl-1-prop-2-enoxymethanamine
CID 87233768
2,3-Dimethyl-2,6-dihydro-1,3-oxazine
CID 89791721
(E)-N-methyl-N-(prop-2-enoxymethyl)prop-1-en-1-amine
CID 117745743
3-Ethyl-2-methyl-2,6-dihydro-1,3-oxazine
CID 123803731
(Z)-3-methoxy-N,N-dimethylprop-1-en-1-amine
CID 134485327
N-methyl-1-prop-2-enoxyethenamine
CID 144294202
2-ethenyl-3-ethyl-2H-1,3-oxazole
CID 150783229

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-prop-2-enoxyethenamine?
The IUPAC name of N,N-dimethyl-1-prop-2-enoxyethenamine (CID 134863305) is N,N-dimethyl-1-prop-2-enoxyethenamine.
What is the SMILES notation for N,N-dimethyl-1-prop-2-enoxyethenamine?
The canonical SMILES for N,N-dimethyl-1-prop-2-enoxyethenamine is C=CCOC(=C)N(C)C.
What is the InChIKey of N,N-dimethyl-1-prop-2-enoxyethenamine?
The InChIKey is DBEDQSPZBDURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6-9-7(2)8(3)4/h5H,1-2,6H2,3-4H3.
What are the key properties of N,N-dimethyl-1-prop-2-enoxyethenamine?
N,N-dimethyl-1-prop-2-enoxyethenamine has a molecular weight of 127.19 g/mol, XLogP of 1.22, 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-enoxyethenamine is sourced from PubChem (CID 134863305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).