N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine

C15H24N2S — CID 61335254

IUPACN-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
SMILESCc1csc(C2(NC3CC3)CCCCCCC2)n1
InChIInChI=1S/C15H24N2S/c1-12-11-18-14(16-12)15(17-13-7-8-13)9-5-3-2-4-6-10-15/h11,13,17H,2-10H2,1H3
InChIKeyQFRVIUNWMWEWQZ-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.14
Rot. Bonds3

About N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine

N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine (PubChem CID 61335254) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
PubChem CID61335254
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
SMILESCc1csc(C2(NC3CC3)CCCCCCC2)n1
InChIInChI=1S/C15H24N2S/c1-12-11-18-14(16-12)15(17-13-7-8-13)9-5-3-2-4-6-10-15/h11,13,17H,2-10H2,1H3
InChIKeyQFRVIUNWMWEWQZ-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine?
The IUPAC name of N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine (CID 61335254) is N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine.
What is the SMILES notation for N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine?
The canonical SMILES for N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine is Cc1csc(C2(NC3CC3)CCCCCCC2)n1.
What is the InChIKey of N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine?
The InChIKey is QFRVIUNWMWEWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12-11-18-14(16-12)15(17-13-7-8-13)9-5-3-2-4-6-10-15/h11,13,17H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine?
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine is sourced from PubChem (CID 61335254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).