6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol

C14H27NO2 — CID 146857111

IUPAC6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol
SMILESCC(O)CCC1CC(C(C)(C)C)=C(O)C(N)C1
InChIInChI=1S/C14H27NO2/c1-9(16)5-6-10-7-11(14(2,3)4)13(17)12(15)8-10/h9-10,12,16-17H,5-8,15H2,1-4H3
InChIKeySJUWSULHZPIVAL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds3

About 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol

6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol (PubChem CID 146857111) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol.

Molecular Properties

Compound Name6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol
PubChem CID146857111
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol
SMILESCC(O)CCC1CC(C(C)(C)C)=C(O)C(N)C1
InChIInChI=1S/C14H27NO2/c1-9(16)5-6-10-7-11(14(2,3)4)13(17)12(15)8-10/h9-10,12,16-17H,5-8,15H2,1-4H3
InChIKeySJUWSULHZPIVAL-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol?
The IUPAC name of 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol (CID 146857111) is 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol.
What is the SMILES notation for 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol?
The canonical SMILES for 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol is CC(O)CCC1CC(C(C)(C)C)=C(O)C(N)C1.
What is the InChIKey of 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol?
The InChIKey is SJUWSULHZPIVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-9(16)5-6-10-7-11(14(2,3)4)13(17)12(15)8-10/h9-10,12,16-17H,5-8,15H2,1-4H3.
What are the key properties of 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol?
6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol is sourced from PubChem (CID 146857111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).