2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

C23H45N3 — CID 158553257

IUPAC2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)C1CC2CC1CN2C(C)C.CC(C)N1CC2CC1CN2C(C)C
InChIInChI=1S/C12H23N.C11H22N2/c2*1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h8-12H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3
InChIKeyHPYZBPRQUKMRAL-UHFFFAOYSA-N
MW363.63 g/mol
LogP4.32
Rot. Bonds4

About 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 158553257) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID158553257
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)C1CC2CC1CN2C(C)C.CC(C)N1CC2CC1CN2C(C)C
InChIInChI=1S/C12H23N.C11H22N2/c2*1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h8-12H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3
InChIKeyHPYZBPRQUKMRAL-UHFFFAOYSA-N
XLogP4.32
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]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

2-Ethyl-5-[2-methyl-1-[2-(2-methylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]propan-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 132048607
2-Ethyl-5-[1-(2-ethyl-2-azabicyclo[2.2.1]heptan-5-yl)-2-methylpropan-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 132048691
2-[1-[2-(2,2-Dimethylpropyl)-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropan-2-yl]-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
CID 132049134
2-[1-[2-(2,3-Dimethylbutyl)-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropan-2-yl]-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
CID 132160488
2-[1-[2-(2,2-Dimethylpropyl)-2-azabicyclo[2.2.1]heptan-4-yl]-2-methylpropan-2-yl]-5-ethyl-2,5-diazabicyclo[2.2.1]heptane
CID 132160545
(1R,4R,5S)-2-propan-2-yl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-azabicyclo[2.2.1]heptane
CID 134414180
3-Propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 138722435
8-[2-Methyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]-8-azabicyclo[3.2.1]octane
CID 155454850
(1S,4S)-2-propan-2-yl-5-[5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 156060685
Bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);ethane
CID 160250148
3-Methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane
CID 160741389
Bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 165075194

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 158553257) is 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)C1CC2CC1CN2C(C)C.CC(C)N1CC2CC1CN2C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is HPYZBPRQUKMRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C11H22N2/c2*1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h8-12H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 363.63 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 158553257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).