3-(butylamino)propyl 3-cyclohexylpropanoate

C16H31NO2 — CID 82532321

IUPAC3-(butylamino)propyl 3-cyclohexylpropanoate
SMILESCCCCNCCCOC(=O)CCC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-12-17-13-7-14-19-16(18)11-10-15-8-5-4-6-9-15/h15,17H,2-14H2,1H3
InChIKeyDZDYTXWGFIXSFU-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.67
Rot. Bonds10

About 3-(butylamino)propyl 3-cyclohexylpropanoate

3-(butylamino)propyl 3-cyclohexylpropanoate (PubChem CID 82532321) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(butylamino)propyl 3-cyclohexylpropanoate.

Molecular Properties

Compound Name3-(butylamino)propyl 3-cyclohexylpropanoate
PubChem CID82532321
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-(butylamino)propyl 3-cyclohexylpropanoate
SMILESCCCCNCCCOC(=O)CCC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-12-17-13-7-14-19-16(18)11-10-15-8-5-4-6-9-15/h15,17H,2-14H2,1H3
InChIKeyDZDYTXWGFIXSFU-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.67
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

butyl 2-(2-cyclohexylethylamino)acetate
CID 54932803
propyl 3-cyclopentylpropanoate
CID 43389546
butyl 4-cyclopentylbutanoate
CID 175866077
4-cycloheptylbutyl butanoate
CID 54174835
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
2-cyclopentylethyl butanoate
CID 142409115
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
3-(butylamino)propyl propanoate
CID 82532356
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
butyl 3-(cyclohexylmethoxy)propanoate
CID 129141533
prop-2-enyl 3-cyclohexylpropanoate;prop-2-enyl heptanoate
CID 157403985
3-(propylamino)propyl cyclohexanecarboxylate
CID 82532737

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)propyl 3-cyclohexylpropanoate?
The IUPAC name of 3-(butylamino)propyl 3-cyclohexylpropanoate (CID 82532321) is 3-(butylamino)propyl 3-cyclohexylpropanoate.
What is the SMILES notation for 3-(butylamino)propyl 3-cyclohexylpropanoate?
The canonical SMILES for 3-(butylamino)propyl 3-cyclohexylpropanoate is CCCCNCCCOC(=O)CCC1CCCCC1.
What is the InChIKey of 3-(butylamino)propyl 3-cyclohexylpropanoate?
The InChIKey is DZDYTXWGFIXSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-12-17-13-7-14-19-16(18)11-10-15-8-5-4-6-9-15/h15,17H,2-14H2,1H3.
What are the key properties of 3-(butylamino)propyl 3-cyclohexylpropanoate?
3-(butylamino)propyl 3-cyclohexylpropanoate has a molecular weight of 269.43 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)propyl 3-cyclohexylpropanoate is sourced from PubChem (CID 82532321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).