4-butan-2-yloxypent-4-en-2-amine

C9H19NO — CID 126663228

IUPAC4-butan-2-yloxypent-4-en-2-amine
SMILESC=C(CC(C)N)OC(C)CC
InChIInChI=1S/C9H19NO/c1-5-8(3)11-9(4)6-7(2)10/h7-8H,4-6,10H2,1-3H3
InChIKeyUGDDTYOTFDXWEX-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.05
Rot. Bonds5

About 4-butan-2-yloxypent-4-en-2-amine

4-butan-2-yloxypent-4-en-2-amine (PubChem CID 126663228) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-butan-2-yloxypent-4-en-2-amine.

Molecular Properties

Compound Name4-butan-2-yloxypent-4-en-2-amine
PubChem CID126663228
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-butan-2-yloxypent-4-en-2-amine
SMILESC=C(CC(C)N)OC(C)CC
InChIInChI=1S/C9H19NO/c1-5-8(3)11-9(4)6-7(2)10/h7-8H,4-6,10H2,1-3H3
InChIKeyUGDDTYOTFDXWEX-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.05
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-butan-2-yloxypent-4-en-2-amine?
The IUPAC name of 4-butan-2-yloxypent-4-en-2-amine (CID 126663228) is 4-butan-2-yloxypent-4-en-2-amine.
What is the SMILES notation for 4-butan-2-yloxypent-4-en-2-amine?
The canonical SMILES for 4-butan-2-yloxypent-4-en-2-amine is C=C(CC(C)N)OC(C)CC.
What is the InChIKey of 4-butan-2-yloxypent-4-en-2-amine?
The InChIKey is UGDDTYOTFDXWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(3)11-9(4)6-7(2)10/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 4-butan-2-yloxypent-4-en-2-amine?
4-butan-2-yloxypent-4-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxypent-4-en-2-amine is sourced from PubChem (CID 126663228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).