2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine

C16H28N2S — CID 55222989

IUPAC2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C16H28N2S/c1-16(2,17)15-18-13-11-9-7-5-3-4-6-8-10-12-14(13)19-15/h3-12,17H2,1-2H3
InChIKeySEODRGCZACDUJV-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.56
Rot. Bonds1

About 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine

2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine (PubChem CID 55222989) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
PubChem CID55222989
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C16H28N2S/c1-16(2,17)15-18-13-11-9-7-5-3-4-6-8-10-12-14(13)19-15/h3-12,17H2,1-2H3
InChIKeySEODRGCZACDUJV-UHFFFAOYSA-N
XLogP4.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine?
The IUPAC name of 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine (CID 55222989) is 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine is CC(C)(N)c1nc2c(s1)CCCCCCCCCC2.
What is the InChIKey of 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine?
The InChIKey is SEODRGCZACDUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-16(2,17)15-18-13-11-9-7-5-3-4-6-8-10-12-14(13)19-15/h3-12,17H2,1-2H3.
What are the key properties of 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine?
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 55222989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).