N-(butylaminooxy)butan-1-amine

C8H20N2O — CID 19356141

IUPACN-(butylaminooxy)butan-1-amine
SMILESCCCCNONCCCC
InChIInChI=1S/C8H20N2O/c1-3-5-7-9-11-10-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyITQVXSQVZWPAAZ-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.61
Rot. Bonds8

About N-(butylaminooxy)butan-1-amine

N-(butylaminooxy)butan-1-amine (PubChem CID 19356141) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N-(butylaminooxy)butan-1-amine.

Molecular Properties

Compound NameN-(butylaminooxy)butan-1-amine
PubChem CID19356141
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN-(butylaminooxy)butan-1-amine
SMILESCCCCNONCCCC
InChIInChI=1S/C8H20N2O/c1-3-5-7-9-11-10-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyITQVXSQVZWPAAZ-UHFFFAOYSA-N
XLogP1.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(butylaminooxy)butan-1-amine?
The IUPAC name of N-(butylaminooxy)butan-1-amine (CID 19356141) is N-(butylaminooxy)butan-1-amine.
What is the SMILES notation for N-(butylaminooxy)butan-1-amine?
The canonical SMILES for N-(butylaminooxy)butan-1-amine is CCCCNONCCCC.
What is the InChIKey of N-(butylaminooxy)butan-1-amine?
The InChIKey is ITQVXSQVZWPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-5-7-9-11-10-8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(butylaminooxy)butan-1-amine?
N-(butylaminooxy)butan-1-amine has a molecular weight of 160.26 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylaminooxy)butan-1-amine is sourced from PubChem (CID 19356141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).