butylbenzene;hydroxylamine

C10H17NO — CID 175142403

IUPACbutylbenzene;hydroxylamine
SMILESCCCCc1ccccc1.NO
InChIInChI=1S/C10H14.H3NO/c1-2-3-7-10-8-5-4-6-9-10;1-2/h4-6,8-9H,2-3,7H2,1H3;2H,1H2
InChIKeyVHTAZMLUZHILNN-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.36
Rot. Bonds3

About butylbenzene;hydroxylamine

butylbenzene;hydroxylamine (PubChem CID 175142403) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is butylbenzene;hydroxylamine.

Molecular Properties

Compound Namebutylbenzene;hydroxylamine
PubChem CID175142403
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Namebutylbenzene;hydroxylamine
SMILESCCCCc1ccccc1.NO
InChIInChI=1S/C10H14.H3NO/c1-2-3-7-10-8-5-4-6-9-10;1-2/h4-6,8-9H,2-3,7H2,1H3;2H,1H2
InChIKeyVHTAZMLUZHILNN-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butylbenzene;carbonic acid
CID 158278492
butylbenzene;propylbenzene
CID 142022125
hexylbenzene;hydrogen peroxide
CID 90001206
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
carbonic acid;pentylbenzene
CID 157127683
pentylbenzene;phosphorous acid
CID 174842783
butylbenzene;ethyl carbamate
CID 175305774
CID 67791041
CID 67791041

Frequently Asked Questions

What is the IUPAC name of butylbenzene;hydroxylamine?
The IUPAC name of butylbenzene;hydroxylamine (CID 175142403) is butylbenzene;hydroxylamine.
What is the SMILES notation for butylbenzene;hydroxylamine?
The canonical SMILES for butylbenzene;hydroxylamine is CCCCc1ccccc1.NO.
What is the InChIKey of butylbenzene;hydroxylamine?
The InChIKey is VHTAZMLUZHILNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.H3NO/c1-2-3-7-10-8-5-4-6-9-10;1-2/h4-6,8-9H,2-3,7H2,1H3;2H,1H2.
What are the key properties of butylbenzene;hydroxylamine?
butylbenzene;hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylbenzene;hydroxylamine is sourced from PubChem (CID 175142403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).