3-(2-methylpropoxy)but-3-en-1-amine

C8H17NO — CID 130402786

IUPAC3-(2-methylpropoxy)but-3-en-1-amine
SMILESC=C(CCN)OCC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)6-10-8(3)4-5-9/h7H,3-6,9H2,1-2H3
InChIKeyKQTONEUDJZBZFJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.52
Rot. Bonds5

About 3-(2-methylpropoxy)but-3-en-1-amine

3-(2-methylpropoxy)but-3-en-1-amine (PubChem CID 130402786) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(2-methylpropoxy)but-3-en-1-amine.

Molecular Properties

Compound Name3-(2-methylpropoxy)but-3-en-1-amine
PubChem CID130402786
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(2-methylpropoxy)but-3-en-1-amine
SMILESC=C(CCN)OCC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)6-10-8(3)4-5-9/h7H,3-6,9H2,1-2H3
InChIKeyKQTONEUDJZBZFJ-UHFFFAOYSA-N
XLogP1.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.52
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 3-(2-methylpropoxy)but-3-en-1-amine?
The IUPAC name of 3-(2-methylpropoxy)but-3-en-1-amine (CID 130402786) is 3-(2-methylpropoxy)but-3-en-1-amine.
What is the SMILES notation for 3-(2-methylpropoxy)but-3-en-1-amine?
The canonical SMILES for 3-(2-methylpropoxy)but-3-en-1-amine is C=C(CCN)OCC(C)C.
What is the InChIKey of 3-(2-methylpropoxy)but-3-en-1-amine?
The InChIKey is KQTONEUDJZBZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)6-10-8(3)4-5-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)but-3-en-1-amine?
3-(2-methylpropoxy)but-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)but-3-en-1-amine is sourced from PubChem (CID 130402786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).