5-(3-methylbutylamino)pentyl cyclopropanecarboxylate

C14H27NO2 — CID 82531930

IUPAC5-(3-methylbutylamino)pentyl cyclopropanecarboxylate
SMILESCC(C)CCNCCCCCOC(=O)C1CC1
InChIInChI=1S/C14H27NO2/c1-12(2)8-10-15-9-4-3-5-11-17-14(16)13-6-7-13/h12-13,15H,3-11H2,1-2H3
InChIKeyZJNXJHUIJGQOKB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.75
Rot. Bonds10

About 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate

5-(3-methylbutylamino)pentyl cyclopropanecarboxylate (PubChem CID 82531930) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate.

Molecular Properties

Compound Name5-(3-methylbutylamino)pentyl cyclopropanecarboxylate
PubChem CID82531930
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-(3-methylbutylamino)pentyl cyclopropanecarboxylate
SMILESCC(C)CCNCCCCCOC(=O)C1CC1
InChIInChI=1S/C14H27NO2/c1-12(2)8-10-15-9-4-3-5-11-17-14(16)13-6-7-13/h12-13,15H,3-11H2,1-2H3
InChIKeyZJNXJHUIJGQOKB-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.75
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 cyclobutanecarboxylate
CID 82531924
1-O-(11-methyldodecyl) 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 91005535
1-O-methyl 4-O-(7-methyloctyl) cyclohexane-1,4-dicarboxylate
CID 90953819
4-methylpentyl cyclopropanecarboxylate
CID 550148
4-O-(9-methyldecyl) 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 66984273
4-O-(9-methyldecyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983804
4-O-(6-methylheptyl) 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983668
4-O-(8-methylnonyl) 1-O-pentyl cyclohexane-1,4-dicarboxylate
CID 66983845
1-O-ethyl 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 66984352
ethane-1,2-diol;4-(10-methylundecoxycarbonyl)cyclohexane-1-carboxylic acid
CID 174499300
1-O-(4-methylpentyl) 4-O-(2-methylpropyl) cyclohexane-1,4-dicarboxylate
CID 66983850
5-(3-methylbutylamino)pentyl butanoate
CID 82531935

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate?
The IUPAC name of 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate (CID 82531930) is 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate.
What is the SMILES notation for 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate?
The canonical SMILES for 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate is CC(C)CCNCCCCCOC(=O)C1CC1.
What is the InChIKey of 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate?
The InChIKey is ZJNXJHUIJGQOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)8-10-15-9-4-3-5-11-17-14(16)13-6-7-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 5-(3-methylbutylamino)pentyl cyclopropanecarboxylate?
5-(3-methylbutylamino)pentyl cyclopropanecarboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.75, 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 cyclopropanecarboxylate is sourced from PubChem (CID 82531930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).