1-but-2-enoxybutane;decan-1-amine

C18H39NO — CID 161236242

IUPAC1-but-2-enoxybutane;decan-1-amine
SMILESCC=CCOCCCC.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C8H16O/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-8-6-4-2/h2-11H2,1H3;3,5H,4,6-8H2,1-2H3
InChIKeyUZKGHOICFICBBM-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.47
Rot. Bonds13

About 1-but-2-enoxybutane;decan-1-amine

1-but-2-enoxybutane;decan-1-amine (PubChem CID 161236242) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 1-but-2-enoxybutane;decan-1-amine.

Molecular Properties

Compound Name1-but-2-enoxybutane;decan-1-amine
PubChem CID161236242
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name1-but-2-enoxybutane;decan-1-amine
SMILESCC=CCOCCCC.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C8H16O/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-8-6-4-2/h2-11H2,1H3;3,5H,4,6-8H2,1-2H3
InChIKeyUZKGHOICFICBBM-UHFFFAOYSA-N
XLogP5.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.47
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 1-but-2-enoxybutane;decan-1-amine?
The IUPAC name of 1-but-2-enoxybutane;decan-1-amine (CID 161236242) is 1-but-2-enoxybutane;decan-1-amine.
What is the SMILES notation for 1-but-2-enoxybutane;decan-1-amine?
The canonical SMILES for 1-but-2-enoxybutane;decan-1-amine is CC=CCOCCCC.CCCCCCCCCCN.
What is the InChIKey of 1-but-2-enoxybutane;decan-1-amine?
The InChIKey is UZKGHOICFICBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C8H16O/c1-2-3-4-5-6-7-8-9-10-11;1-3-5-7-9-8-6-4-2/h2-11H2,1H3;3,5H,4,6-8H2,1-2H3.
What are the key properties of 1-but-2-enoxybutane;decan-1-amine?
1-but-2-enoxybutane;decan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 5.47, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxybutane;decan-1-amine is sourced from PubChem (CID 161236242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).