N-butan-2-yloxy-N-butylbutan-1-amine

C12H27NO — CID 57310313

IUPACN-butan-2-yloxy-N-butylbutan-1-amine
SMILESCCCCN(CCCC)OC(C)CC
InChIInChI=1S/C12H27NO/c1-5-8-10-13(11-9-6-2)14-12(4)7-3/h12H,5-11H2,1-4H3
InChIKeySDGPDJFHPRUZHG-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.62
Rot. Bonds9

About N-butan-2-yloxy-N-butylbutan-1-amine

N-butan-2-yloxy-N-butylbutan-1-amine (PubChem CID 57310313) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-butan-2-yloxy-N-butylbutan-1-amine.

Molecular Properties

Compound NameN-butan-2-yloxy-N-butylbutan-1-amine
PubChem CID57310313
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-butan-2-yloxy-N-butylbutan-1-amine
SMILESCCCCN(CCCC)OC(C)CC
InChIInChI=1S/C12H27NO/c1-5-8-10-13(11-9-6-2)14-12(4)7-3/h12H,5-11H2,1-4H3
InChIKeySDGPDJFHPRUZHG-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yloxy-N-butylbutan-1-amine?
The IUPAC name of N-butan-2-yloxy-N-butylbutan-1-amine (CID 57310313) is N-butan-2-yloxy-N-butylbutan-1-amine.
What is the SMILES notation for N-butan-2-yloxy-N-butylbutan-1-amine?
The canonical SMILES for N-butan-2-yloxy-N-butylbutan-1-amine is CCCCN(CCCC)OC(C)CC.
What is the InChIKey of N-butan-2-yloxy-N-butylbutan-1-amine?
The InChIKey is SDGPDJFHPRUZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-8-10-13(11-9-6-2)14-12(4)7-3/h12H,5-11H2,1-4H3.
What are the key properties of N-butan-2-yloxy-N-butylbutan-1-amine?
N-butan-2-yloxy-N-butylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yloxy-N-butylbutan-1-amine is sourced from PubChem (CID 57310313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).