N-ethoxy-2-methylbut-1-en-1-amine

C7H15NO — CID 57122454

IUPACN-ethoxy-2-methylbut-1-en-1-amine
SMILESCCONC=C(C)CC
InChIInChI=1S/C7H15NO/c1-4-7(3)6-8-9-5-2/h6,8H,4-5H2,1-3H3
InChIKeyFLVHUZOTYZXTEC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.84
Rot. Bonds4

About N-ethoxy-2-methylbut-1-en-1-amine

N-ethoxy-2-methylbut-1-en-1-amine (PubChem CID 57122454) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-ethoxy-2-methylbut-1-en-1-amine.

Molecular Properties

Compound NameN-ethoxy-2-methylbut-1-en-1-amine
PubChem CID57122454
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-ethoxy-2-methylbut-1-en-1-amine
SMILESCCONC=C(C)CC
InChIInChI=1S/C7H15NO/c1-4-7(3)6-8-9-5-2/h6,8H,4-5H2,1-3H3
InChIKeyFLVHUZOTYZXTEC-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-ethoxy-2-methylbut-1-en-1-amine?
The IUPAC name of N-ethoxy-2-methylbut-1-en-1-amine (CID 57122454) is N-ethoxy-2-methylbut-1-en-1-amine.
What is the SMILES notation for N-ethoxy-2-methylbut-1-en-1-amine?
The canonical SMILES for N-ethoxy-2-methylbut-1-en-1-amine is CCONC=C(C)CC.
What is the InChIKey of N-ethoxy-2-methylbut-1-en-1-amine?
The InChIKey is FLVHUZOTYZXTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(3)6-8-9-5-2/h6,8H,4-5H2,1-3H3.
What are the key properties of N-ethoxy-2-methylbut-1-en-1-amine?
N-ethoxy-2-methylbut-1-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylbut-1-en-1-amine is sourced from PubChem (CID 57122454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).