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

C16H28N2OS — CID 63471871

IUPACN-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
SMILESCOCCNc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C16H28N2OS/c1-19-13-12-17-16-18-14-10-8-6-4-2-3-5-7-9-11-15(14)20-16/h2-13H2,1H3,(H,17,18)
InChIKeyAFSWOCDEIXZZIZ-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.42
Rot. Bonds4

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

N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine (PubChem CID 63471871) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
PubChem CID63471871
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
SMILESCOCCNc1nc2c(s1)CCCCCCCCCC2
InChIInChI=1S/C16H28N2OS/c1-19-13-12-17-16-18-14-10-8-6-4-2-3-5-7-9-11-15(14)20-16/h2-13H2,1H3,(H,17,18)
InChIKeyAFSWOCDEIXZZIZ-UHFFFAOYSA-N
XLogP4.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine (CID 63471871) is N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine is COCCNc1nc2c(s1)CCCCCCCCCC2.
What is the InChIKey of N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine?
The InChIKey is AFSWOCDEIXZZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-19-13-12-17-16-18-14-10-8-6-4-2-3-5-7-9-11-15(14)20-16/h2-13H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine?
N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine has a molecular weight of 296.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine is sourced from PubChem (CID 63471871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).