N-butyl-N-(3-methoxypropyl)butan-1-amine

C12H27NO — CID 59583671

IUPACN-butyl-N-(3-methoxypropyl)butan-1-amine
SMILESCCCCN(CCCC)CCCOC
InChIInChI=1S/C12H27NO/c1-4-6-9-13(10-7-5-2)11-8-12-14-3/h4-12H2,1-3H3
InChIKeyLXIYIGXZHXTATE-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.93
Rot. Bonds10

About N-butyl-N-(3-methoxypropyl)butan-1-amine

N-butyl-N-(3-methoxypropyl)butan-1-amine (PubChem CID 59583671) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-butyl-N-(3-methoxypropyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(3-methoxypropyl)butan-1-amine
PubChem CID59583671
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-butyl-N-(3-methoxypropyl)butan-1-amine
SMILESCCCCN(CCCC)CCCOC
InChIInChI=1S/C12H27NO/c1-4-6-9-13(10-7-5-2)11-8-12-14-3/h4-12H2,1-3H3
InChIKeyLXIYIGXZHXTATE-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-methoxypropyl)butan-1-amine?
The IUPAC name of N-butyl-N-(3-methoxypropyl)butan-1-amine (CID 59583671) is N-butyl-N-(3-methoxypropyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(3-methoxypropyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(3-methoxypropyl)butan-1-amine is CCCCN(CCCC)CCCOC.
What is the InChIKey of N-butyl-N-(3-methoxypropyl)butan-1-amine?
The InChIKey is LXIYIGXZHXTATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-6-9-13(10-7-5-2)11-8-12-14-3/h4-12H2,1-3H3.
What are the key properties of N-butyl-N-(3-methoxypropyl)butan-1-amine?
N-butyl-N-(3-methoxypropyl)butan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-methoxypropyl)butan-1-amine is sourced from PubChem (CID 59583671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).