9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C15H24N2S — CID 65471235

IUPAC9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccc(CNC2CC3CCCC(C2)N3C)s1
InChIInChI=1S/C15H24N2S/c1-11-6-7-15(18-11)10-16-12-8-13-4-3-5-14(9-12)17(13)2/h6-7,12-14,16H,3-5,8-10H2,1-2H3
InChIKeyWHESFQYMXBCSST-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.16
Rot. Bonds3

About 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471235) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471235
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccc(CNC2CC3CCCC(C2)N3C)s1
InChIInChI=1S/C15H24N2S/c1-11-6-7-15(18-11)10-16-12-8-13-4-3-5-14(9-12)17(13)2/h6-7,12-14,16H,3-5,8-10H2,1-2H3
InChIKeyWHESFQYMXBCSST-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107093556
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471793
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 65080142
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 64744447
N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine
CID 114817596
N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696592
9-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471234
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
N-[(2,4-dimethylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471992

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471235) is 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is Cc1ccc(CNC2CC3CCCC(C2)N3C)s1.
What is the InChIKey of 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WHESFQYMXBCSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-6-7-15(18-11)10-16-12-8-13-4-3-5-14(9-12)17(13)2/h6-7,12-14,16H,3-5,8-10H2,1-2H3.
What are the key properties of 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 264.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).