N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine

C11H23N3 — CID 28596292

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCN[C@H]1CN2CCC1CC2
InChIInChI=1S/C11H23N3/c1-13(2)8-5-12-11-9-14-6-3-10(11)4-7-14/h10-12H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyPUVOSUPBLFFORV-NSHDSACASA-N
MW197.33 g/mol
LogP0.23
Rot. Bonds4

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 28596292) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID28596292
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCN[C@H]1CN2CCC1CC2
InChIInChI=1S/C11H23N3/c1-13(2)8-5-12-11-9-14-6-3-10(11)4-7-14/h10-12H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyPUVOSUPBLFFORV-NSHDSACASA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine 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

3-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-1,1-dimethylurea
CID 83116933
N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 105364559
(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43807688
N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
N-[(4-ethylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60971601
tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257160
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60690787
N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 134940573
N-[(4-tert-butylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 104574757
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 107006523
N-(oxan-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55208858

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine (CID 28596292) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCN[C@H]1CN2CCC1CC2.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PUVOSUPBLFFORV-NSHDSACASA-N. The full InChI is InChI=1S/C11H23N3/c1-13(2)8-5-12-11-9-14-6-3-10(11)4-7-14/h10-12H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 197.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 28596292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).