N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine

C14H23N3S — CID 102894599

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCC1NCC2CCCC21)c1nccs1
InChIInChI=1S/C14H23N3S/c1-2-12(14-15-6-7-18-14)17-9-13-11-5-3-4-10(11)8-16-13/h6-7,10-13,16-17H,2-5,8-9H2,1H3
InChIKeyFBWIXBJCGBSLJR-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.57
Rot. Bonds5

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 102894599) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID102894599
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCC1NCC2CCCC21)c1nccs1
InChIInChI=1S/C14H23N3S/c1-2-12(14-15-6-7-18-14)17-9-13-11-5-3-4-10(11)8-16-13/h6-7,10-13,16-17H,2-5,8-9H2,1H3
InChIKeyFBWIXBJCGBSLJR-UHFFFAOYSA-N
XLogP2.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine with MolForge

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Related Compounds

N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 114421565
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 116521490
N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79171502
2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
CID 79541546
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
CID 79740776
1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine
CID 79459168
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469799
N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79888731
1-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]cyclopentan-1-amine
CID 64682277
3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol
CID 104578211

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine (CID 102894599) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NCC1NCC2CCCC21)c1nccs1.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is FBWIXBJCGBSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-12(14-15-6-7-18-14)17-9-13-11-5-3-4-10(11)8-16-13/h6-7,10-13,16-17H,2-5,8-9H2,1H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 102894599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).