2-methyl-N-prop-2-enoxyprop-1-en-1-amine

C7H13NO — CID 57066050

IUPAC2-methyl-N-prop-2-enoxyprop-1-en-1-amine
SMILESC=CCONC=C(C)C
InChIInChI=1S/C7H13NO/c1-4-5-9-8-6-7(2)3/h4,6,8H,1,5H2,2-3H3
InChIKeyDBMADRLHHUGWQU-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.62
Rot. Bonds4

About 2-methyl-N-prop-2-enoxyprop-1-en-1-amine

2-methyl-N-prop-2-enoxyprop-1-en-1-amine (PubChem CID 57066050) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enoxyprop-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enoxyprop-1-en-1-amine
PubChem CID57066050
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-N-prop-2-enoxyprop-1-en-1-amine
SMILESC=CCONC=C(C)C
InChIInChI=1S/C7H13NO/c1-4-5-9-8-6-7(2)3/h4,6,8H,1,5H2,2-3H3
InChIKeyDBMADRLHHUGWQU-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enoxyprop-1-en-1-amine?
The IUPAC name of 2-methyl-N-prop-2-enoxyprop-1-en-1-amine (CID 57066050) is 2-methyl-N-prop-2-enoxyprop-1-en-1-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enoxyprop-1-en-1-amine?
The canonical SMILES for 2-methyl-N-prop-2-enoxyprop-1-en-1-amine is C=CCONC=C(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enoxyprop-1-en-1-amine?
The InChIKey is DBMADRLHHUGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-9-8-6-7(2)3/h4,6,8H,1,5H2,2-3H3.
What are the key properties of 2-methyl-N-prop-2-enoxyprop-1-en-1-amine?
2-methyl-N-prop-2-enoxyprop-1-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enoxyprop-1-en-1-amine is sourced from PubChem (CID 57066050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).