dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride

C18H36ClNO2 — CID 155387692

IUPACdodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C18H35NO2.ClH/c1-2-3-4-5-6-7-8-9-10-13-16-21-17(20)18(19)14-11-12-15-18;/h2-16,19H2,1H3;1H
InChIKeyUFOQDANEBUASMU-UHFFFAOYSA-N
MW333.94 g/mol
LogP5.14
Rot. Bonds12

About dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride

dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride (PubChem CID 155387692) has the molecular formula C18H36ClNO2 and a molecular weight of 333.94 g/mol. Its IUPAC name is dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namedodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
PubChem CID155387692
Molecular FormulaC18H36ClNO2
Molecular Weight333.94 g/mol
Exact Mass333.24
IUPAC Namedodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C18H35NO2.ClH/c1-2-3-4-5-6-7-8-9-10-13-16-21-17(20)18(19)14-11-12-15-18;/h2-16,19H2,1H3;1H
InChIKeyUFOQDANEBUASMU-UHFFFAOYSA-N
XLogP5.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.94
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
1-O-heptyl 1-O'-nonyl cyclohexane-1,1-dicarboxylate
CID 122459033
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356
1-O'-decyl 1-O-octyl cyclohexane-1,1-dicarboxylate
CID 122459034
hexyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433864
octyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309277
octadecyl 4-amino-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 22766540
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
decyl 1-(butoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728459

Frequently Asked Questions

What is the IUPAC name of dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride (CID 155387692) is dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride is CCCCCCCCCCCCOC(=O)C1(N)CCCC1.Cl.
What is the InChIKey of dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride?
The InChIKey is UFOQDANEBUASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2.ClH/c1-2-3-4-5-6-7-8-9-10-13-16-21-17(20)18(19)14-11-12-15-18;/h2-16,19H2,1H3;1H.
What are the key properties of dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride?
dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride has a molecular weight of 333.94 g/mol, XLogP of 5.14, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 155387692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).