9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

C15H25N3S — CID 65470686

IUPAC9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ncsc1CCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H25N3S/c1-11-15(19-10-17-11)6-7-16-12-8-13-4-3-5-14(9-12)18(13)2/h10,12-14,16H,3-9H2,1-2H3
InChIKeyYRCMEMQUOFLLRK-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.60
Rot. Bonds4

About 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65470686) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65470686
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ncsc1CCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H25N3S/c1-11-15(19-10-17-11)6-7-16-12-8-13-4-3-5-14(9-12)18(13)2/h10,12-14,16H,3-9H2,1-2H3
InChIKeyYRCMEMQUOFLLRK-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 65470686) is 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is Cc1ncsc1CCNC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is YRCMEMQUOFLLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-11-15(19-10-17-11)6-7-16-12-8-13-4-3-5-14(9-12)18(13)2/h10,12-14,16H,3-9H2,1-2H3.
What are the key properties of 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 279.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65470686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).