4-prop-1-en-2-yloxybutan-2-amine

C7H15NO — CID 138563169

IUPAC4-prop-1-en-2-yloxybutan-2-amine
SMILESC=C(C)OCCC(C)N
InChIInChI=1S/C7H15NO/c1-6(2)9-5-4-7(3)8/h7H,1,4-5,8H2,2-3H3
InChIKeyWCPVDRJOOUXARQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.27
Rot. Bonds4

About 4-prop-1-en-2-yloxybutan-2-amine

4-prop-1-en-2-yloxybutan-2-amine (PubChem CID 138563169) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-prop-1-en-2-yloxybutan-2-amine.

Molecular Properties

Compound Name4-prop-1-en-2-yloxybutan-2-amine
PubChem CID138563169
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-prop-1-en-2-yloxybutan-2-amine
SMILESC=C(C)OCCC(C)N
InChIInChI=1S/C7H15NO/c1-6(2)9-5-4-7(3)8/h7H,1,4-5,8H2,2-3H3
InChIKeyWCPVDRJOOUXARQ-UHFFFAOYSA-N
XLogP1.27
TPSA35.25 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yloxybutan-2-amine?
The IUPAC name of 4-prop-1-en-2-yloxybutan-2-amine (CID 138563169) is 4-prop-1-en-2-yloxybutan-2-amine.
What is the SMILES notation for 4-prop-1-en-2-yloxybutan-2-amine?
The canonical SMILES for 4-prop-1-en-2-yloxybutan-2-amine is C=C(C)OCCC(C)N.
What is the InChIKey of 4-prop-1-en-2-yloxybutan-2-amine?
The InChIKey is WCPVDRJOOUXARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)9-5-4-7(3)8/h7H,1,4-5,8H2,2-3H3.
What are the key properties of 4-prop-1-en-2-yloxybutan-2-amine?
4-prop-1-en-2-yloxybutan-2-amine has a molecular weight of 129.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yloxybutan-2-amine is sourced from PubChem (CID 138563169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).