3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C13H21N3S — CID 65379750

IUPAC3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESNCC1(NCc2cccs2)CN2CCC1CC2
InChIInChI=1S/C13H21N3S/c14-9-13(15-8-12-2-1-7-17-12)10-16-5-3-11(13)4-6-16/h1-2,7,11,15H,3-6,8-10,14H2
InChIKeyRNEPOIPKEMPJLB-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.26
Rot. Bonds4

About 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 65379750) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID65379750
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESNCC1(NCc2cccs2)CN2CCC1CC2
InChIInChI=1S/C13H21N3S/c14-9-13(15-8-12-2-1-7-17-12)10-16-5-3-11(13)4-6-16/h1-2,7,11,15H,3-6,8-10,14H2
InChIKeyRNEPOIPKEMPJLB-UHFFFAOYSA-N
XLogP1.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine 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-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379549
1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 112682362
7,7-dimethyl-1-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 118200045
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
[2-methylsulfonyl-1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 65049782
3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
CID 55027346
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 65379750) is 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is NCC1(NCc2cccs2)CN2CCC1CC2.
What is the InChIKey of 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is RNEPOIPKEMPJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c14-9-13(15-8-12-2-1-7-17-12)10-16-5-3-11(13)4-6-16/h1-2,7,11,15H,3-6,8-10,14H2.
What are the key properties of 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 65379750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).