N-oxido-N-propylbutan-1-amine

C7H16NO- — CID 141004980

IUPACN-oxido-N-propylbutan-1-amine
SMILESCCCCN([O-])CCC
InChIInChI=1S/C7H16NO/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3/q-1
InChIKeyUBGCBPUISNURMU-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds5

About N-oxido-N-propylbutan-1-amine

N-oxido-N-propylbutan-1-amine (PubChem CID 141004980) has the molecular formula C7H16NO- and a molecular weight of 130.21 g/mol. Its IUPAC name is N-oxido-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-oxido-N-propylbutan-1-amine
PubChem CID141004980
Molecular FormulaC7H16NO-
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC NameN-oxido-N-propylbutan-1-amine
SMILESCCCCN([O-])CCC
InChIInChI=1S/C7H16NO/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3/q-1
InChIKeyUBGCBPUISNURMU-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.00
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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Related Compounds

N-oxido-N-propyloctan-1-amine
CID 140996116
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N-(2-iodoethyl)-N-propylbutan-1-amine
CID 143831432
2-[hexyl(oxido)amino]ethane-1,1-diol
CID 139707310
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
N-oxido-N-(2-phenylethyl)icosan-1-amine
CID 122612786
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
1,1-dibutyl-2-propan-2-ylhydrazine
CID 21407863

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-propylbutan-1-amine?
The IUPAC name of N-oxido-N-propylbutan-1-amine (CID 141004980) is N-oxido-N-propylbutan-1-amine.
What is the SMILES notation for N-oxido-N-propylbutan-1-amine?
The canonical SMILES for N-oxido-N-propylbutan-1-amine is CCCCN([O-])CCC.
What is the InChIKey of N-oxido-N-propylbutan-1-amine?
The InChIKey is UBGCBPUISNURMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3/q-1.
What are the key properties of N-oxido-N-propylbutan-1-amine?
N-oxido-N-propylbutan-1-amine has a molecular weight of 130.21 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-propylbutan-1-amine is sourced from PubChem (CID 141004980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).