methanidyl(pentanoyl)azanium

C6H13NO — CID 59324617

IUPACmethanidyl(pentanoyl)azanium
SMILES[CH2-][NH2+]C(=O)CCCC
InChIInChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h2-5,7H2,1H3
InChIKeyALDBXDBLYXEFJE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.06
Rot. Bonds3

About methanidyl(pentanoyl)azanium

methanidyl(pentanoyl)azanium (PubChem CID 59324617) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is methanidyl(pentanoyl)azanium.

Molecular Properties

Compound Namemethanidyl(pentanoyl)azanium
PubChem CID59324617
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namemethanidyl(pentanoyl)azanium
SMILES[CH2-][NH2+]C(=O)CCCC
InChIInChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h2-5,7H2,1H3
InChIKeyALDBXDBLYXEFJE-UHFFFAOYSA-N
XLogP0.06
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentanoyl(pentyl)azanium chloride
CID 143030422
di(octadecanoyl)azanium bromide
CID 141010029
nonanoyl(sulfanyl)azanium
CID 173416347
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
hexan-2-one;molecular nitrogen
CID 174442577
icosane;pentanoic acid
CID 159151393
azanium pentanethioate
CID 141017525
CID 174614333
CID 174614333

Frequently Asked Questions

What is the IUPAC name of methanidyl(pentanoyl)azanium?
The IUPAC name of methanidyl(pentanoyl)azanium (CID 59324617) is methanidyl(pentanoyl)azanium.
What is the SMILES notation for methanidyl(pentanoyl)azanium?
The canonical SMILES for methanidyl(pentanoyl)azanium is [CH2-][NH2+]C(=O)CCCC.
What is the InChIKey of methanidyl(pentanoyl)azanium?
The InChIKey is ALDBXDBLYXEFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-5-6(8)7-2/h2-5,7H2,1H3.
What are the key properties of methanidyl(pentanoyl)azanium?
methanidyl(pentanoyl)azanium has a molecular weight of 115.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(pentanoyl)azanium is sourced from PubChem (CID 59324617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).