N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine

C17H35N3 — CID 58317819

IUPACN-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine
SMILESCN(CCN1C2CCC1CN(C(C)(C)C)C2)C(C)(C)C
InChIInChI=1S/C17H35N3/c1-16(2,3)18(7)10-11-20-14-8-9-15(20)13-19(12-14)17(4,5)6/h14-15H,8-13H2,1-7H3
InChIKeyHNEGLYBWGWIVNJ-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.66
Rot. Bonds3

About N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine

N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine (PubChem CID 58317819) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine
PubChem CID58317819
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine
SMILESCN(CCN1C2CCC1CN(C(C)(C)C)C2)C(C)(C)C
InChIInChI=1S/C17H35N3/c1-16(2,3)18(7)10-11-20-14-8-9-15(20)13-19(12-14)17(4,5)6/h14-15H,8-13H2,1-7H3
InChIKeyHNEGLYBWGWIVNJ-UHFFFAOYSA-N
XLogP2.66
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine (CID 58317819) is N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine is CN(CCN1C2CCC1CN(C(C)(C)C)C2)C(C)(C)C.
What is the InChIKey of N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine?
The InChIKey is HNEGLYBWGWIVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)18(7)10-11-20-14-8-9-15(20)13-19(12-14)17(4,5)6/h14-15H,8-13H2,1-7H3.
What are the key properties of N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine?
N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine has a molecular weight of 281.49 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 58317819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).