3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine

C16H26N2S — CID 63247931

IUPAC3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCc1ccsc1
InChIInChI=1S/C16H26N2S/c1-12(2)18-9-14-4-3-5-15(10-18)16(14)17-8-13-6-7-19-11-13/h6-7,11-12,14-17H,3-5,8-10H2,1-2H3
InChIKeySXTKZTSFJUVSIS-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.35
Rot. Bonds4

About 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine

3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 63247931) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID63247931
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCc1ccsc1
InChIInChI=1S/C16H26N2S/c1-12(2)18-9-14-4-3-5-15(10-18)16(14)17-8-13-6-7-19-11-13/h6-7,11-12,14-17H,3-5,8-10H2,1-2H3
InChIKeySXTKZTSFJUVSIS-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-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

N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240026
N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine
CID 130525428
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 71743675
N-[2-(5-bromothiophen-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106043195
1-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 63247754
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 103005129
5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
CID 107316719
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
3-[(6-methoxy-4-methylquinolin-2-yl)methyl]-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 91332169
N-(1,4-dioxan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61241579
2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 126979225

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine (CID 63247931) is 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCc1ccsc1.
What is the InChIKey of 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is SXTKZTSFJUVSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12(2)18-9-14-4-3-5-15(10-18)16(14)17-8-13-6-7-19-11-13/h6-7,11-12,14-17H,3-5,8-10H2,1-2H3.
What are the key properties of 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine?
3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 278.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 63247931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).