N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine

C14H19N3S — CID 106128217

IUPACN-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine
SMILESNC1CCCC(CNc2nccc3sccc23)C1
InChIInChI=1S/C14H19N3S/c15-11-3-1-2-10(8-11)9-17-14-12-5-7-18-13(12)4-6-16-14/h4-7,10-11H,1-3,8-9,15H2,(H,16,17)
InChIKeyVUFYMSLDBVMHBN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.23
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine

N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 106128217) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine
PubChem CID106128217
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine
SMILESNC1CCCC(CNc2nccc3sccc23)C1
InChIInChI=1S/C14H19N3S/c15-11-3-1-2-10(8-11)9-17-14-12-5-7-18-13(12)4-6-16-14/h4-7,10-11H,1-3,8-9,15H2,(H,16,17)
InChIKeyVUFYMSLDBVMHBN-UHFFFAOYSA-N
XLogP3.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine (CID 106128217) is N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine is NC1CCCC(CNc2nccc3sccc23)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is VUFYMSLDBVMHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c15-11-3-1-2-10(8-11)9-17-14-12-5-7-18-13(12)4-6-16-14/h4-7,10-11H,1-3,8-9,15H2,(H,16,17).
What are the key properties of N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine?
N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 106128217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).