4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid

C18H33NO2 — CID 63067972

IUPAC4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(C1CC1)C1CC(C(C)(C)C)CCC1C(=O)O
InChIInChI=1S/C18H33NO2/c1-5-6-11-19(14-8-9-14)16-12-13(18(2,3)4)7-10-15(16)17(20)21/h13-16H,5-12H2,1-4H3,(H,20,21)
InChIKeyVNSPLXQFARINJA-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.17
Rot. Bonds6

About 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid

4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63067972) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63067972
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(C1CC1)C1CC(C(C)(C)C)CCC1C(=O)O
InChIInChI=1S/C18H33NO2/c1-5-6-11-19(14-8-9-14)16-12-13(18(2,3)4)7-10-15(16)17(20)21/h13-16H,5-12H2,1-4H3,(H,20,21)
InChIKeyVNSPLXQFARINJA-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid (CID 63067972) is 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid is CCCCN(C1CC1)C1CC(C(C)(C)C)CCC1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VNSPLXQFARINJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-6-11-19(14-8-9-14)16-12-13(18(2,3)4)7-10-15(16)17(20)21/h13-16H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid?
4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63067972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).