N-but-2-enoxypropan-2-amine

C7H15NO — CID 54408088

IUPACN-but-2-enoxypropan-2-amine
SMILESCC=CCONC(C)C
InChIInChI=1S/C7H15NO/c1-4-5-6-9-8-7(2)3/h4-5,7-8H,6H2,1-3H3
InChIKeyVSEIDDXTFJRCAI-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.49
Rot. Bonds4

About N-but-2-enoxypropan-2-amine

N-but-2-enoxypropan-2-amine (PubChem CID 54408088) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-but-2-enoxypropan-2-amine.

Molecular Properties

Compound NameN-but-2-enoxypropan-2-amine
PubChem CID54408088
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-but-2-enoxypropan-2-amine
SMILESCC=CCONC(C)C
InChIInChI=1S/C7H15NO/c1-4-5-6-9-8-7(2)3/h4-5,7-8H,6H2,1-3H3
InChIKeyVSEIDDXTFJRCAI-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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 N-but-2-enoxypropan-2-amine?
The IUPAC name of N-but-2-enoxypropan-2-amine (CID 54408088) is N-but-2-enoxypropan-2-amine.
What is the SMILES notation for N-but-2-enoxypropan-2-amine?
The canonical SMILES for N-but-2-enoxypropan-2-amine is CC=CCONC(C)C.
What is the InChIKey of N-but-2-enoxypropan-2-amine?
The InChIKey is VSEIDDXTFJRCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6-9-8-7(2)3/h4-5,7-8H,6H2,1-3H3.
What are the key properties of N-but-2-enoxypropan-2-amine?
N-but-2-enoxypropan-2-amine has a molecular weight of 129.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enoxypropan-2-amine is sourced from PubChem (CID 54408088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).