N-ethoxybutan-1-amine

C6H15NO — CID 60776447

IUPACN-ethoxybutan-1-amine
SMILESCCCCNOCC
InChIInChI=1S/C6H15NO/c1-3-5-6-7-8-4-2/h7H,3-6H2,1-2H3
InChIKeyLMSKSAOCOHSCEL-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.33
Rot. Bonds5

About N-ethoxybutan-1-amine

N-ethoxybutan-1-amine (PubChem CID 60776447) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is N-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-ethoxybutan-1-amine
PubChem CID60776447
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC NameN-ethoxybutan-1-amine
SMILESCCCCNOCC
InChIInChI=1S/C6H15NO/c1-3-5-6-7-8-4-2/h7H,3-6H2,1-2H3
InChIKeyLMSKSAOCOHSCEL-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxybutan-1-amine?
The IUPAC name of N-ethoxybutan-1-amine (CID 60776447) is N-ethoxybutan-1-amine.
What is the SMILES notation for N-ethoxybutan-1-amine?
The canonical SMILES for N-ethoxybutan-1-amine is CCCCNOCC.
What is the InChIKey of N-ethoxybutan-1-amine?
The InChIKey is LMSKSAOCOHSCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-5-6-7-8-4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-ethoxybutan-1-amine?
N-ethoxybutan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxybutan-1-amine is sourced from PubChem (CID 60776447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).