6-but-2-enoxy-N-propan-2-ylhexan-1-amine

C13H27NO — CID 77024418

IUPAC6-but-2-enoxy-N-propan-2-ylhexan-1-amine
SMILESCC=CCOCCCCCCNC(C)C
InChIInChI=1S/C13H27NO/c1-4-5-11-15-12-9-7-6-8-10-14-13(2)3/h4-5,13-14H,6-12H2,1-3H3
InChIKeyPGLFMHCIRFYFPA-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds10

About 6-but-2-enoxy-N-propan-2-ylhexan-1-amine

6-but-2-enoxy-N-propan-2-ylhexan-1-amine (PubChem CID 77024418) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-but-2-enoxy-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-but-2-enoxy-N-propan-2-ylhexan-1-amine
PubChem CID77024418
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-but-2-enoxy-N-propan-2-ylhexan-1-amine
SMILESCC=CCOCCCCCCNC(C)C
InChIInChI=1S/C13H27NO/c1-4-5-11-15-12-9-7-6-8-10-14-13(2)3/h4-5,13-14H,6-12H2,1-3H3
InChIKeyPGLFMHCIRFYFPA-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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 6-but-2-enoxy-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-but-2-enoxy-N-propan-2-ylhexan-1-amine (CID 77024418) is 6-but-2-enoxy-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-but-2-enoxy-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-but-2-enoxy-N-propan-2-ylhexan-1-amine is CC=CCOCCCCCCNC(C)C.
What is the InChIKey of 6-but-2-enoxy-N-propan-2-ylhexan-1-amine?
The InChIKey is PGLFMHCIRFYFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-11-15-12-9-7-6-8-10-14-13(2)3/h4-5,13-14H,6-12H2,1-3H3.
What are the key properties of 6-but-2-enoxy-N-propan-2-ylhexan-1-amine?
6-but-2-enoxy-N-propan-2-ylhexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-enoxy-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 77024418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).