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

C16H28N2S — CID 63019459

IUPAC2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCc1ncc(CC2(CNCC(C)C)CCCCC2)s1
InChIInChI=1S/C16H28N2S/c1-13(2)10-17-12-16(7-5-4-6-8-16)9-15-11-18-14(3)19-15/h11,13,17H,4-10,12H2,1-3H3
InChIKeyZBCIZXWYJVNWCE-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.19
Rot. Bonds6

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

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 63019459) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID63019459
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-1-amine
SMILESCc1ncc(CC2(CNCC(C)C)CCCCC2)s1
InChIInChI=1S/C16H28N2S/c1-13(2)10-17-12-16(7-5-4-6-8-16)9-15-11-18-14(3)19-15/h11,13,17H,4-10,12H2,1-3H3
InChIKeyZBCIZXWYJVNWCE-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.19
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-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine (CID 63019459) is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine is Cc1ncc(CC2(CNCC(C)C)CCCCC2)s1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is ZBCIZXWYJVNWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(2)10-17-12-16(7-5-4-6-8-16)9-15-11-18-14(3)19-15/h11,13,17H,4-10,12H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.19, 6 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-1-amine is sourced from PubChem (CID 63019459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).