octyl 1-(aminomethyl)cyclopentane-1-carboxylate

C15H29NO2 — CID 113309277

IUPACoctyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESCCCCCCCCOC(=O)C1(CN)CCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-9-12-18-14(17)15(13-16)10-7-8-11-15/h2-13,16H2,1H3
InChIKeyBSUPCOKGDYUYLM-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.41
Rot. Bonds9

About octyl 1-(aminomethyl)cyclopentane-1-carboxylate

octyl 1-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 113309277) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is octyl 1-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameoctyl 1-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID113309277
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameoctyl 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESCCCCCCCCOC(=O)C1(CN)CCCC1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-9-12-18-14(17)15(13-16)10-7-8-11-15/h2-13,16H2,1H3
InChIKeyBSUPCOKGDYUYLM-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.41
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-(aminomethyl)cyclopentane-1-carboxylate
CID 115433864
octyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451044
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356
1-O-heptyl 1-O'-nonyl cyclohexane-1,1-dicarboxylate
CID 122459033
1-O'-decyl 1-O-octyl cyclohexane-1,1-dicarboxylate
CID 122459034
dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
2-(1-butoxycarbonylcyclopentyl)acetic acid
CID 70820633
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
butyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 176639183

Frequently Asked Questions

What is the IUPAC name of octyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of octyl 1-(aminomethyl)cyclopentane-1-carboxylate (CID 113309277) is octyl 1-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for octyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for octyl 1-(aminomethyl)cyclopentane-1-carboxylate is CCCCCCCCOC(=O)C1(CN)CCCC1.
What is the InChIKey of octyl 1-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is BSUPCOKGDYUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-9-12-18-14(17)15(13-16)10-7-8-11-15/h2-13,16H2,1H3.
What are the key properties of octyl 1-(aminomethyl)cyclopentane-1-carboxylate?
octyl 1-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 1-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 113309277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).