N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine

C15H21N3S — CID 63761241

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine
SMILESCC1CCC(CN)(Nc2nccc3sccc23)CC1
InChIInChI=1S/C15H21N3S/c1-11-2-6-15(10-16,7-3-11)18-14-12-5-9-19-13(12)4-8-17-14/h4-5,8-9,11H,2-3,6-7,10,16H2,1H3,(H,17,18)
InChIKeyAOSOWBTXEPTHGE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.62
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine

N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 63761241) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine
PubChem CID63761241
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine
SMILESCC1CCC(CN)(Nc2nccc3sccc23)CC1
InChIInChI=1S/C15H21N3S/c1-11-2-6-15(10-16,7-3-11)18-14-12-5-9-19-13(12)4-8-17-14/h4-5,8-9,11H,2-3,6-7,10,16H2,1H3,(H,17,18)
InChIKeyAOSOWBTXEPTHGE-UHFFFAOYSA-N
XLogP3.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine (CID 63761241) is N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine is CC1CCC(CN)(Nc2nccc3sccc23)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is AOSOWBTXEPTHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-2-6-15(10-16,7-3-11)18-14-12-5-9-19-13(12)4-8-17-14/h4-5,8-9,11H,2-3,6-7,10,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine?
N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 63761241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).