5-(3-methylbutylamino)pentyl cyclobutanecarboxylate

C15H29NO2 — CID 82531924

IUPAC5-(3-methylbutylamino)pentyl cyclobutanecarboxylate
SMILESCC(C)CCNCCCCCOC(=O)C1CCC1
InChIInChI=1S/C15H29NO2/c1-13(2)9-11-16-10-4-3-5-12-18-15(17)14-7-6-8-14/h13-14,16H,3-12H2,1-2H3
InChIKeySCCDCLRDISTAJH-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.14
Rot. Bonds10

About 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate

5-(3-methylbutylamino)pentyl cyclobutanecarboxylate (PubChem CID 82531924) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate.

Molecular Properties

Compound Name5-(3-methylbutylamino)pentyl cyclobutanecarboxylate
PubChem CID82531924
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name5-(3-methylbutylamino)pentyl cyclobutanecarboxylate
SMILESCC(C)CCNCCCCCOC(=O)C1CCC1
InChIInChI=1S/C15H29NO2/c1-13(2)9-11-16-10-4-3-5-12-18-15(17)14-7-6-8-14/h13-14,16H,3-12H2,1-2H3
InChIKeySCCDCLRDISTAJH-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.14
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

5-(3-methylbutylamino)pentyl cyclopropanecarboxylate
CID 82531930
1-O-(11-methyldodecyl) 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 91005535
4-methylpentyl cyclopentanecarboxylate
CID 566242
3-O-methyl 1-O-(7-methyloctyl) cyclohexane-1,3-dicarboxylate
CID 90773254
1-O-methyl 4-O-(7-methyloctyl) cyclohexane-1,4-dicarboxylate
CID 90953819
4-methylpentyl cyclopropanecarboxylate
CID 550148
1-O-(6-methylheptyl) 3-O-pentyl cyclohexane-1,3-dicarboxylate
CID 66984365
3-O-decyl 1-O-(11-methyldodecyl) cyclohexane-1,3-dicarboxylate
CID 90786566
3-O-ethyl 1-O-(7-methyloctyl) cyclohexane-1,3-dicarboxylate
CID 91407609
3-O-hexyl 1-O-(5-methylhexyl) cyclohexane-1,3-dicarboxylate
CID 66983874
3-O-(6-methylheptyl) 1-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984433
3-O-butyl 1-O-(7-methyloctyl) cyclohexane-1,3-dicarboxylate
CID 91302867

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate?
The IUPAC name of 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate (CID 82531924) is 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate.
What is the SMILES notation for 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate?
The canonical SMILES for 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate is CC(C)CCNCCCCCOC(=O)C1CCC1.
What is the InChIKey of 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate?
The InChIKey is SCCDCLRDISTAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2)9-11-16-10-4-3-5-12-18-15(17)14-7-6-8-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate?
5-(3-methylbutylamino)pentyl cyclobutanecarboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylamino)pentyl cyclobutanecarboxylate is sourced from PubChem (CID 82531924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).