pentanoyl(pentyl)azanium chloride

C10H22ClNO — CID 143030422

IUPACpentanoyl(pentyl)azanium chloride
SMILESCCCCC[NH2+]C(=O)CCCC.[Cl-]
InChIInChI=1S/C10H21NO.ClH/c1-3-5-7-9-11-10(12)8-6-4-2;/h3-9H2,1-2H3,(H,11,12);1H
InChIKeyLYZFZXWVZOTYLU-UHFFFAOYSA-N
MW207.74 g/mol
LogP-1.54
Rot. Bonds7

About pentanoyl(pentyl)azanium chloride

pentanoyl(pentyl)azanium chloride (PubChem CID 143030422) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is pentanoyl(pentyl)azanium chloride.

Molecular Properties

Compound Namepentanoyl(pentyl)azanium chloride
PubChem CID143030422
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Namepentanoyl(pentyl)azanium chloride
SMILESCCCCC[NH2+]C(=O)CCCC.[Cl-]
InChIInChI=1S/C10H21NO.ClH/c1-3-5-7-9-11-10(12)8-6-4-2;/h3-9H2,1-2H3,(H,11,12);1H
InChIKeyLYZFZXWVZOTYLU-UHFFFAOYSA-N
XLogP-1.54
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanidyl(pentanoyl)azanium
CID 59324617
di(octadecanoyl)azanium bromide
CID 141010029
nonanoyl(sulfanyl)azanium
CID 173416347
carboxymethyl(octyl)azanium chloride
CID 18526697
2-hydroxyethyl-[(Z)-octadec-9-enoyl]azanium acetate
CID 20838003
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
methyl(tridecyl)azanium;pentanoate
CID 87857166
butyl(5-carboxypentyl)azanium
CID 145146425
icosane;pentanoic acid
CID 159151393
dodecan-5-one
CID 29771
carbonic acid;bis(hexane)
CID 173367789

Frequently Asked Questions

What is the IUPAC name of pentanoyl(pentyl)azanium chloride?
The IUPAC name of pentanoyl(pentyl)azanium chloride (CID 143030422) is pentanoyl(pentyl)azanium chloride.
What is the SMILES notation for pentanoyl(pentyl)azanium chloride?
The canonical SMILES for pentanoyl(pentyl)azanium chloride is CCCCC[NH2+]C(=O)CCCC.[Cl-].
What is the InChIKey of pentanoyl(pentyl)azanium chloride?
The InChIKey is LYZFZXWVZOTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-3-5-7-9-11-10(12)8-6-4-2;/h3-9H2,1-2H3,(H,11,12);1H.
What are the key properties of pentanoyl(pentyl)azanium chloride?
pentanoyl(pentyl)azanium chloride has a molecular weight of 207.74 g/mol, XLogP of -1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoyl(pentyl)azanium chloride is sourced from PubChem (CID 143030422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).