hexyl 1-aminocyclohexane-1-carboxylate

C13H25NO2 — CID 61301911

IUPAChexyl 1-aminocyclohexane-1-carboxylate
SMILESCCCCCCOC(=O)C1(N)CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-3-4-8-11-16-12(15)13(14)9-6-5-7-10-13/h2-11,14H2,1H3
InChIKeyHXBKMMYOSUNXNL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.77
Rot. Bonds6

About hexyl 1-aminocyclohexane-1-carboxylate

hexyl 1-aminocyclohexane-1-carboxylate (PubChem CID 61301911) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is hexyl 1-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Namehexyl 1-aminocyclohexane-1-carboxylate
PubChem CID61301911
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namehexyl 1-aminocyclohexane-1-carboxylate
SMILESCCCCCCOC(=O)C1(N)CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-3-4-8-11-16-12(15)13(14)9-6-5-7-10-13/h2-11,14H2,1H3
InChIKeyHXBKMMYOSUNXNL-UHFFFAOYSA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.77
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
dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
1-O-heptyl 1-O'-nonyl cyclohexane-1,1-dicarboxylate
CID 122459033
1-O'-decyl 1-O-octyl cyclohexane-1,1-dicarboxylate
CID 122459034
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
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
decyl 1-(butoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728459

Frequently Asked Questions

What is the IUPAC name of hexyl 1-aminocyclohexane-1-carboxylate?
The IUPAC name of hexyl 1-aminocyclohexane-1-carboxylate (CID 61301911) is hexyl 1-aminocyclohexane-1-carboxylate.
What is the SMILES notation for hexyl 1-aminocyclohexane-1-carboxylate?
The canonical SMILES for hexyl 1-aminocyclohexane-1-carboxylate is CCCCCCOC(=O)C1(N)CCCCC1.
What is the InChIKey of hexyl 1-aminocyclohexane-1-carboxylate?
The InChIKey is HXBKMMYOSUNXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-8-11-16-12(15)13(14)9-6-5-7-10-13/h2-11,14H2,1H3.
What are the key properties of hexyl 1-aminocyclohexane-1-carboxylate?
hexyl 1-aminocyclohexane-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 1-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 61301911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).