3-(propylamino)propyl cyclohexanecarboxylate

C13H25NO2 — CID 82532737

IUPAC3-(propylamino)propyl cyclohexanecarboxylate
SMILESCCCNCCCOC(=O)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-9-14-10-6-11-16-13(15)12-7-4-3-5-8-12/h12,14H,2-11H2,1H3
InChIKeyRLIPGZHRGKSGIZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds7

About 3-(propylamino)propyl cyclohexanecarboxylate

3-(propylamino)propyl cyclohexanecarboxylate (PubChem CID 82532737) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(propylamino)propyl cyclohexanecarboxylate.

Molecular Properties

Compound Name3-(propylamino)propyl cyclohexanecarboxylate
PubChem CID82532737
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-(propylamino)propyl cyclohexanecarboxylate
SMILESCCCNCCCOC(=O)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-9-14-10-6-11-16-13(15)12-7-4-3-5-8-12/h12,14H,2-11H2,1H3
InChIKeyRLIPGZHRGKSGIZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
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

2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate
CID 82532258
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
nonyl cyclopentanecarboxylate
CID 575427
3-(propylamino)propyl oxolane-2-carboxylate
CID 82532736
5-(3-methylbutylamino)pentyl cyclobutanecarboxylate
CID 82531924
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate
CID 123967340
3-(butylamino)propyl 3-cyclohexylpropanoate
CID 82532321
3-bromopropyl cyclopentanecarboxylate
CID 10776091
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
4-methylpentyl cyclopentanecarboxylate
CID 566242

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)propyl cyclohexanecarboxylate?
The IUPAC name of 3-(propylamino)propyl cyclohexanecarboxylate (CID 82532737) is 3-(propylamino)propyl cyclohexanecarboxylate.
What is the SMILES notation for 3-(propylamino)propyl cyclohexanecarboxylate?
The canonical SMILES for 3-(propylamino)propyl cyclohexanecarboxylate is CCCNCCCOC(=O)C1CCCCC1.
What is the InChIKey of 3-(propylamino)propyl cyclohexanecarboxylate?
The InChIKey is RLIPGZHRGKSGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-9-14-10-6-11-16-13(15)12-7-4-3-5-8-12/h12,14H,2-11H2,1H3.
What are the key properties of 3-(propylamino)propyl cyclohexanecarboxylate?
3-(propylamino)propyl cyclohexanecarboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)propyl cyclohexanecarboxylate is sourced from PubChem (CID 82532737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).