4-cyclohexylbutyl 4-iminobutanoate

C14H25NO2 — CID 144709601

IUPAC4-cyclohexylbutyl 4-iminobutanoate
SMILES[H]/N=C/CCC(=O)OCCCCC1CCCCC1
InChIInChI=1S/C14H25NO2/c15-11-6-10-14(16)17-12-5-4-9-13-7-2-1-3-8-13/h11,13,15H,1-10,12H2/b15-11+
InChIKeyOIXSFTCNRGYAKT-RVDMUPIBSA-N
MW239.36 g/mol
LogP3.71
Rot. Bonds8

About 4-cyclohexylbutyl 4-iminobutanoate

4-cyclohexylbutyl 4-iminobutanoate (PubChem CID 144709601) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-cyclohexylbutyl 4-iminobutanoate.

Molecular Properties

Compound Name4-cyclohexylbutyl 4-iminobutanoate
PubChem CID144709601
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-cyclohexylbutyl 4-iminobutanoate
SMILES[H]/N=C/CCC(=O)OCCCCC1CCCCC1
InChIInChI=1S/C14H25NO2/c15-11-6-10-14(16)17-12-5-4-9-13-7-2-1-3-8-13/h11,13,15H,1-10,12H2/b15-11+
InChIKeyOIXSFTCNRGYAKT-RVDMUPIBSA-N
XLogP3.71
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-cycloheptylbutyl butanoate
CID 54174835
4-cyclopropylbutyl 4-cyclopropylbutanoate
CID 22905862
butyl 4-cyclopentylbutanoate
CID 175866077
9-cyclopropylnonyl butanoate
CID 21445863
propyl 3-cyclopentylpropanoate
CID 43389546
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
13-cyclopropyltridecyl pentanoate
CID 54121613
3-(butylamino)propyl 3-cyclohexylpropanoate
CID 82532321
4-cyclohexylbutyl 4-tert-butyl-3-imino-5-oxoheptanoate
CID 123880490
5-cyclopropylpentyl tetradecanoate
CID 21445891
1-O-(2-cyclohexylethyl) 4-O-(2-methylpropyl) butanedioate
CID 91704743
9-cyclopropylnonyl hexanoate
CID 21445837

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutyl 4-iminobutanoate?
The IUPAC name of 4-cyclohexylbutyl 4-iminobutanoate (CID 144709601) is 4-cyclohexylbutyl 4-iminobutanoate.
What is the SMILES notation for 4-cyclohexylbutyl 4-iminobutanoate?
The canonical SMILES for 4-cyclohexylbutyl 4-iminobutanoate is [H]/N=C/CCC(=O)OCCCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutyl 4-iminobutanoate?
The InChIKey is OIXSFTCNRGYAKT-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H25NO2/c15-11-6-10-14(16)17-12-5-4-9-13-7-2-1-3-8-13/h11,13,15H,1-10,12H2/b15-11+.
What are the key properties of 4-cyclohexylbutyl 4-iminobutanoate?
4-cyclohexylbutyl 4-iminobutanoate has a molecular weight of 239.36 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutyl 4-iminobutanoate is sourced from PubChem (CID 144709601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).