3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane

C10H20N2O — CID 20683176

IUPAC3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCC1NC2C1C(C)(C)N(O)C2(C)C
InChIInChI=1S/C10H20N2O/c1-6-7-8(11-6)10(4,5)12(13)9(7,2)3/h6-8,11,13H,1-5H3
InChIKeyHZJCYMWVBVAJKG-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.22
Rot. Bonds

About 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane

3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 20683176) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID20683176
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCC1NC2C1C(C)(C)N(O)C2(C)C
InChIInChI=1S/C10H20N2O/c1-6-7-8(11-6)10(4,5)12(13)9(7,2)3/h6-8,11,13H,1-5H3
InChIKeyHZJCYMWVBVAJKG-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,4,4,7-Pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 20683174
3-Hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane
CID 20683177
N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 59340797
CID 59967306
CID 59967306
CID 59967307
CID 59967307
N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]butan-2-amine
CID 68403204
3,6-Dihydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 90904449
(1S,5R)-6-(3-methylhexan-3-yl)-3,6-diazabicyclo[3.2.0]heptane
CID 139402735
[2,2,5,5-Tetramethyl-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]oxidanium
CID 147259218
1-Hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine
CID 151272828
5-Propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine
CID 164943246
3-Hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane
CID 20683178

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane (CID 20683176) is 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane is CC1NC2C1C(C)(C)N(O)C2(C)C.
What is the InChIKey of 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is HZJCYMWVBVAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-7-8(11-6)10(4,5)12(13)9(7,2)3/h6-8,11,13H,1-5H3.
What are the key properties of 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane?
3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 184.28 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 20683176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).