N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C13H21N3S — CID 55261433

IUPACN-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2Cc1cscn1
InChIInChI=1S/C13H21N3S/c1-14-10-5-12-3-2-4-13(6-10)16(12)7-11-8-17-9-15-11/h8-10,12-14H,2-7H2,1H3
InChIKeyDEBQNUBKESBQTP-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55261433) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55261433
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2Cc1cscn1
InChIInChI=1S/C13H21N3S/c1-14-10-5-12-3-2-4-13(6-10)16(12)7-11-8-17-9-15-11/h8-10,12-14H,2-7H2,1H3
InChIKeyDEBQNUBKESBQTP-UHFFFAOYSA-N
XLogP2.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 55261433) is N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2Cc1cscn1.
What is the InChIKey of N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DEBQNUBKESBQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-14-10-5-12-3-2-4-13(6-10)16(12)7-11-8-17-9-15-11/h8-10,12-14H,2-7H2,1H3.
What are the key properties of N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55261433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).