2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine

C16H28N2S — CID 63019458

IUPAC2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCc1ncc(CC2(CNC(C)(C)C)CCCCC2)s1
InChIInChI=1S/C16H28N2S/c1-13-17-11-14(19-13)10-16(8-6-5-7-9-16)12-18-15(2,3)4/h11,18H,5-10,12H2,1-4H3
InChIKeyWUDAYZBUAGNITE-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.33
Rot. Bonds4

About 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 63019458) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID63019458
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCc1ncc(CC2(CNC(C)(C)C)CCCCC2)s1
InChIInChI=1S/C16H28N2S/c1-13-17-11-14(19-13)10-16(8-6-5-7-9-16)12-18-15(2,3)4/h11,18H,5-10,12H2,1-4H3
InChIKeyWUDAYZBUAGNITE-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine (CID 63019458) is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine is Cc1ncc(CC2(CNC(C)(C)C)CCCCC2)s1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is WUDAYZBUAGNITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13-17-11-14(19-13)10-16(8-6-5-7-9-16)12-18-15(2,3)4/h11,18H,5-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63019458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).