4-but-2-enoxy-N-tert-butylpentan-1-amine

C13H27NO — CID 76943452

IUPAC4-but-2-enoxy-N-tert-butylpentan-1-amine
SMILESCC=CCOC(C)CCCNC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-11-15-12(2)9-8-10-14-13(3,4)5/h6-7,12,14H,8-11H2,1-5H3
InChIKeyWEPUMMUSFZAAPY-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds7

About 4-but-2-enoxy-N-tert-butylpentan-1-amine

4-but-2-enoxy-N-tert-butylpentan-1-amine (PubChem CID 76943452) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-but-2-enoxy-N-tert-butylpentan-1-amine.

Molecular Properties

Compound Name4-but-2-enoxy-N-tert-butylpentan-1-amine
PubChem CID76943452
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-but-2-enoxy-N-tert-butylpentan-1-amine
SMILESCC=CCOC(C)CCCNC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-7-11-15-12(2)9-8-10-14-13(3,4)5/h6-7,12,14H,8-11H2,1-5H3
InChIKeyWEPUMMUSFZAAPY-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
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 4-but-2-enoxy-N-tert-butylpentan-1-amine?
The IUPAC name of 4-but-2-enoxy-N-tert-butylpentan-1-amine (CID 76943452) is 4-but-2-enoxy-N-tert-butylpentan-1-amine.
What is the SMILES notation for 4-but-2-enoxy-N-tert-butylpentan-1-amine?
The canonical SMILES for 4-but-2-enoxy-N-tert-butylpentan-1-amine is CC=CCOC(C)CCCNC(C)(C)C.
What is the InChIKey of 4-but-2-enoxy-N-tert-butylpentan-1-amine?
The InChIKey is WEPUMMUSFZAAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-11-15-12(2)9-8-10-14-13(3,4)5/h6-7,12,14H,8-11H2,1-5H3.
What are the key properties of 4-but-2-enoxy-N-tert-butylpentan-1-amine?
4-but-2-enoxy-N-tert-butylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enoxy-N-tert-butylpentan-1-amine is sourced from PubChem (CID 76943452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).