5-but-3-enoxy-N-propan-2-ylpentan-1-amine

C12H25NO — CID 62443236

IUPAC5-but-3-enoxy-N-propan-2-ylpentan-1-amine
SMILESC=CCCOCCCCCNC(C)C
InChIInChI=1S/C12H25NO/c1-4-5-10-14-11-8-6-7-9-13-12(2)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyGSMCHQWVUQAFMS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds10

About 5-but-3-enoxy-N-propan-2-ylpentan-1-amine

5-but-3-enoxy-N-propan-2-ylpentan-1-amine (PubChem CID 62443236) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-but-3-enoxy-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-but-3-enoxy-N-propan-2-ylpentan-1-amine
PubChem CID62443236
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-but-3-enoxy-N-propan-2-ylpentan-1-amine
SMILESC=CCCOCCCCCNC(C)C
InChIInChI=1S/C12H25NO/c1-4-5-10-14-11-8-6-7-9-13-12(2)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyGSMCHQWVUQAFMS-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enoxy-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-but-3-enoxy-N-propan-2-ylpentan-1-amine (CID 62443236) is 5-but-3-enoxy-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-but-3-enoxy-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-but-3-enoxy-N-propan-2-ylpentan-1-amine is C=CCCOCCCCCNC(C)C.
What is the InChIKey of 5-but-3-enoxy-N-propan-2-ylpentan-1-amine?
The InChIKey is GSMCHQWVUQAFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-10-14-11-8-6-7-9-13-12(2)3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of 5-but-3-enoxy-N-propan-2-ylpentan-1-amine?
5-but-3-enoxy-N-propan-2-ylpentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enoxy-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62443236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).