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

C17H30N2S — CID 63526067

IUPAC2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C17H30N2S/c1-3-17(2,18)16-19-14-12-10-8-6-4-5-7-9-11-13-15(14)20-16/h3-13,18H2,1-2H3
InChIKeySVTOFTYDXXCKGE-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.95
Rot. Bonds2

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

2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine (PubChem CID 63526067) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
PubChem CID63526067
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C17H30N2S/c1-3-17(2,18)16-19-14-12-10-8-6-4-5-7-9-11-13-15(14)20-16/h3-13,18H2,1-2H3
InChIKeySVTOFTYDXXCKGE-UHFFFAOYSA-N
XLogP4.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
CID 55222989
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)octan-2-amine
CID 61330299
2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine
CID 114868544
N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine
CID 61332609
2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine
CID 61333814
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 62542108
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine
CID 114079947
5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
CID 63405307
propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 143174269
2-bromo-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 112623621
2-bromo-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole
CID 112623648
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-N-propylpentan-3-amine
CID 61334992

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)butan-2-amine?
The IUPAC name of 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine (CID 63526067) is 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-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)butan-2-amine?
The canonical SMILES for 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine is CCC(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)butan-2-amine?
The InChIKey is SVTOFTYDXXCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-3-17(2,18)16-19-14-12-10-8-6-4-5-7-9-11-13-15(14)20-16/h3-13,18H2,1-2H3.
What are the key properties of 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine?
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine has a molecular weight of 294.51 g/mol, XLogP of 4.95, 2 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)butan-2-amine is sourced from PubChem (CID 63526067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).