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

C16H23N3OS — CID 63871191

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine
SMILESNC1CCC(OCCCNc2nccc3sccc23)CC1
InChIInChI=1S/C16H23N3OS/c17-12-2-4-13(5-3-12)20-10-1-8-18-16-14-7-11-21-15(14)6-9-19-16/h6-7,9,11-13H,1-5,8,10,17H2,(H,18,19)
InChIKeyMERTWKONFJUJRK-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.38
Rot. Bonds6

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

N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 63871191) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine
PubChem CID63871191
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine
SMILESNC1CCC(OCCCNc2nccc3sccc23)CC1
InChIInChI=1S/C16H23N3OS/c17-12-2-4-13(5-3-12)20-10-1-8-18-16-14-7-11-21-15(14)6-9-19-16/h6-7,9,11-13H,1-5,8,10,17H2,(H,18,19)
InChIKeyMERTWKONFJUJRK-UHFFFAOYSA-N
XLogP3.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine (CID 63871191) is N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine is NC1CCC(OCCCNc2nccc3sccc23)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is MERTWKONFJUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c17-12-2-4-13(5-3-12)20-10-1-8-18-16-14-7-11-21-15(14)6-9-19-16/h6-7,9,11-13H,1-5,8,10,17H2,(H,18,19).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine?
N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 63871191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).