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

C10H20N2 — CID 20683174

IUPAC2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCC1NC2C1C(C)(C)NC2(C)C
InChIInChI=1S/C10H20N2/c1-6-7-8(11-6)10(4,5)12-9(7,2)3/h6-8,11-12H,1-5H3
InChIKeyRKDUZTQURPKOOI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.12
Rot. Bonds

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

2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 20683174) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
PubChem CID20683174
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
SMILESCC1NC2C1C(C)(C)NC2(C)C
InChIInChI=1S/C10H20N2/c1-6-7-8(11-6)10(4,5)12-9(7,2)3/h6-8,11-12H,1-5H3
InChIKeyRKDUZTQURPKOOI-UHFFFAOYSA-N
XLogP1.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,6-Trimethyln-(2-pyrrolidinylethyl)-1,4-diazepane-6-amine
CID 171904768
N-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 19605560
3-Hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 20683176
3-Hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane
CID 20683177
N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine
CID 21475425
(1R,5S,6S)-N,1-dimethyl-3-azabicyclo[3.2.0]heptan-6-amine
CID 55286761
3-Tert-butyl-3,6-diazabicyclo[3.2.0]heptane
CID 58388820
6-Tert-butyl-3,6-diazabicyclo[3.2.0]heptane
CID 58522457
6-Tert-butyl-2,6-diazabicyclo[3.2.0]heptane
CID 58522483
CID 59967306
CID 59967306
CID 59967307
CID 59967307
(1S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172526

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane (CID 20683174) is 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane is CC1NC2C1C(C)(C)NC2(C)C.
What is the InChIKey of 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is RKDUZTQURPKOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-7-8(11-6)10(4,5)12-9(7,2)3/h6-8,11-12H,1-5H3.
What are the key properties of 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane?
2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 168.28 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 20683174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).