1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine

C16H28N2S — CID 63405815

IUPAC1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
SMILESCc1csc(C2(N)CCCCCCCCCCC2)n1
InChIInChI=1S/C16H28N2S/c1-14-13-19-15(18-14)16(17)11-9-7-5-3-2-4-6-8-10-12-16/h13H,2-12,17H2,1H3
InChIKeyQUVKEQVNSYPFDB-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.91
Rot. Bonds1

About 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine

1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine (PubChem CID 63405815) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
PubChem CID63405815
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
SMILESCc1csc(C2(N)CCCCCCCCCCC2)n1
InChIInChI=1S/C16H28N2S/c1-14-13-19-15(18-14)16(17)11-9-7-5-3-2-4-6-8-10-12-16/h13H,2-12,17H2,1H3
InChIKeyQUVKEQVNSYPFDB-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine (CID 63405815) is 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine is Cc1csc(C2(N)CCCCCCCCCCC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine?
The InChIKey is QUVKEQVNSYPFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14-13-19-15(18-14)16(17)11-9-7-5-3-2-4-6-8-10-12-16/h13H,2-12,17H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine is sourced from PubChem (CID 63405815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).