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

C15H26N2S — CID 112644082

IUPAC2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(Cc2cncs2)CCCCC1
InChIInChI=1S/C15H26N2S/c1-14(2,3)17-11-15(7-5-4-6-8-15)9-13-10-16-12-18-13/h10,12,17H,4-9,11H2,1-3H3
InChIKeyMDIZPGYKIPKHJM-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.02
Rot. Bonds4

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

2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 112644082) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID112644082
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(Cc2cncs2)CCCCC1
InChIInChI=1S/C15H26N2S/c1-14(2,3)17-11-15(7-5-4-6-8-15)9-13-10-16-12-18-13/h10,12,17H,4-9,11H2,1-3H3
InChIKeyMDIZPGYKIPKHJM-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.02
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-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine (CID 112644082) is 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine is CC(C)(C)NCC1(Cc2cncs2)CCCCC1.
What is the InChIKey of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is MDIZPGYKIPKHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-14(2,3)17-11-15(7-5-4-6-8-15)9-13-10-16-12-18-13/h10,12,17H,4-9,11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 266.45 g/mol, XLogP of 4.02, 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-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 112644082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).