octyl 1-aminocyclohexane-1-carboxylate

C15H29NO2 — CID 61303894

IUPACoctyl 1-aminocyclohexane-1-carboxylate
SMILESCCCCCCCCOC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-10-13-18-14(17)15(16)11-8-7-9-12-15/h2-13,16H2,1H3
InChIKeyDCMFIAFRJCXZAI-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.55
Rot. Bonds8

About octyl 1-aminocyclohexane-1-carboxylate

octyl 1-aminocyclohexane-1-carboxylate (PubChem CID 61303894) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is octyl 1-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameoctyl 1-aminocyclohexane-1-carboxylate
PubChem CID61303894
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameoctyl 1-aminocyclohexane-1-carboxylate
SMILESCCCCCCCCOC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-10-13-18-14(17)15(16)11-8-7-9-12-15/h2-13,16H2,1H3
InChIKeyDCMFIAFRJCXZAI-UHFFFAOYSA-N
XLogP3.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.55
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

hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
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 octyl 1-aminocyclohexane-1-carboxylate?
The IUPAC name of octyl 1-aminocyclohexane-1-carboxylate (CID 61303894) is octyl 1-aminocyclohexane-1-carboxylate.
What is the SMILES notation for octyl 1-aminocyclohexane-1-carboxylate?
The canonical SMILES for octyl 1-aminocyclohexane-1-carboxylate is CCCCCCCCOC(=O)C1(N)CCCCC1.
What is the InChIKey of octyl 1-aminocyclohexane-1-carboxylate?
The InChIKey is DCMFIAFRJCXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-10-13-18-14(17)15(16)11-8-7-9-12-15/h2-13,16H2,1H3.
What are the key properties of octyl 1-aminocyclohexane-1-carboxylate?
octyl 1-aminocyclohexane-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 1-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 61303894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).