butan-1-amine;hydroxy(oxo)phosphanium

C4H13NO2P+ — CID 173106427

IUPACbutan-1-amine;hydroxy(oxo)phosphanium
SMILESCCCCN.O=[PH+]O
InChIInChI=1S/C4H11N.HO2P/c1-2-3-4-5;1-3-2/h2-5H2,1H3;3H/p+1
InChIKeyWQYCODAKZVUWBX-UHFFFAOYSA-O
MW138.13 g/mol
LogP0.66
Rot. Bonds2

About butan-1-amine;hydroxy(oxo)phosphanium

butan-1-amine;hydroxy(oxo)phosphanium (PubChem CID 173106427) has the molecular formula C4H13NO2P+ and a molecular weight of 138.13 g/mol. Its IUPAC name is butan-1-amine;hydroxy(oxo)phosphanium.

Molecular Properties

Compound Namebutan-1-amine;hydroxy(oxo)phosphanium
PubChem CID173106427
Molecular FormulaC4H13NO2P+
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Namebutan-1-amine;hydroxy(oxo)phosphanium
SMILESCCCCN.O=[PH+]O
InChIInChI=1S/C4H11N.HO2P/c1-2-3-4-5;1-3-2/h2-5H2,1H3;3H/p+1
InChIKeyWQYCODAKZVUWBX-UHFFFAOYSA-O
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 159237160
CID 159237160
aminomethyl(methyl)phosphinic acid;butan-1-amine
CID 139413899
tris(butan-1-amine);methylsilane
CID 161377074
butan-1-amine;propan-2-ol
CID 174667581
azane;butan-1-amine;ethane;hydrate
CID 159979344
butan-1-amine;dodecan-1-amine
CID 158532895
dodecakis(butan-1-amine);fluorophosphonous acid
CID 173225344
butan-1-amine;N,N-dimethylmethanamine;sulfuric acid
CID 174720864
butan-1-amine;(Z)-but-2-enedioic acid
CID 173351096
bis(butan-1-amine);(E)-but-2-enedioic acid
CID 173276873
dodecan-1-amine;hydroxylamine
CID 175960605
tetrakis(butan-1-amine);tetraiodoplumbane
CID 170458283

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;hydroxy(oxo)phosphanium?
The IUPAC name of butan-1-amine;hydroxy(oxo)phosphanium (CID 173106427) is butan-1-amine;hydroxy(oxo)phosphanium.
What is the SMILES notation for butan-1-amine;hydroxy(oxo)phosphanium?
The canonical SMILES for butan-1-amine;hydroxy(oxo)phosphanium is CCCCN.O=[PH+]O.
What is the InChIKey of butan-1-amine;hydroxy(oxo)phosphanium?
The InChIKey is WQYCODAKZVUWBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N.HO2P/c1-2-3-4-5;1-3-2/h2-5H2,1H3;3H/p+1.
What are the key properties of butan-1-amine;hydroxy(oxo)phosphanium?
butan-1-amine;hydroxy(oxo)phosphanium has a molecular weight of 138.13 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;hydroxy(oxo)phosphanium is sourced from PubChem (CID 173106427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).