N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine

C17H25N3S — CID 60868924

IUPACN'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1nccc2sccc12)C1CCCCCC1
InChIInChI=1S/C17H25N3S/c18-10-5-12-20(14-6-3-1-2-4-7-14)17-15-9-13-21-16(15)8-11-19-17/h8-9,11,13-14H,1-7,10,12,18H2
InChIKeyQGCGWPCZZRNGCQ-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.17
Rot. Bonds5

About N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine

N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine (PubChem CID 60868924) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
PubChem CID60868924
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
SMILESNCCCN(c1nccc2sccc12)C1CCCCCC1
InChIInChI=1S/C17H25N3S/c18-10-5-12-20(14-6-3-1-2-4-7-14)17-15-9-13-21-16(15)8-11-19-17/h8-9,11,13-14H,1-7,10,12,18H2
InChIKeyQGCGWPCZZRNGCQ-UHFFFAOYSA-N
XLogP4.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 62587639
N'-(5-bromoisoquinolin-1-yl)-N'-cyclobutylpropane-1,3-diamine
CID 106543638
N-cyclopropyl-N-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 106641172
N'-cycloheptyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104729848
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 54999057
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
CID 116648233
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
CID 62132183

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine (CID 60868924) is N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine is NCCCN(c1nccc2sccc12)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine?
The InChIKey is QGCGWPCZZRNGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c18-10-5-12-20(14-6-3-1-2-4-7-14)17-15-9-13-21-16(15)8-11-19-17/h8-9,11,13-14H,1-7,10,12,18H2.
What are the key properties of N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine?
N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine has a molecular weight of 303.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 60868924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).