6-amino-2-tert-butyl-4-propylcyclohexen-1-ol

C13H25NO — CID 139574162

IUPAC6-amino-2-tert-butyl-4-propylcyclohexen-1-ol
SMILESCCCC1CC(C(C)(C)C)=C(O)C(N)C1
InChIInChI=1S/C13H25NO/c1-5-6-9-7-10(13(2,3)4)12(15)11(14)8-9/h9,11,15H,5-8,14H2,1-4H3
InChIKeySAMFEIQHWHKXBS-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.38
Rot. Bonds2

About 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol

6-amino-2-tert-butyl-4-propylcyclohexen-1-ol (PubChem CID 139574162) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol.

Molecular Properties

Compound Name6-amino-2-tert-butyl-4-propylcyclohexen-1-ol
PubChem CID139574162
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name6-amino-2-tert-butyl-4-propylcyclohexen-1-ol
SMILESCCCC1CC(C(C)(C)C)=C(O)C(N)C1
InChIInChI=1S/C13H25NO/c1-5-6-9-7-10(13(2,3)4)12(15)11(14)8-9/h9,11,15H,5-8,14H2,1-4H3
InChIKeySAMFEIQHWHKXBS-UHFFFAOYSA-N
XLogP3.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol?
The IUPAC name of 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol (CID 139574162) is 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol.
What is the SMILES notation for 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol?
The canonical SMILES for 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol is CCCC1CC(C(C)(C)C)=C(O)C(N)C1.
What is the InChIKey of 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol?
The InChIKey is SAMFEIQHWHKXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-6-9-7-10(13(2,3)4)12(15)11(14)8-9/h9,11,15H,5-8,14H2,1-4H3.
What are the key properties of 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol?
6-amino-2-tert-butyl-4-propylcyclohexen-1-ol has a molecular weight of 211.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-tert-butyl-4-propylcyclohexen-1-ol is sourced from PubChem (CID 139574162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).