2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol

C14H23NOS — CID 111696178

IUPAC2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(CNCC2(C)CCCCC2O)s1
InChIInChI=1S/C14H23NOS/c1-11-6-7-12(17-11)9-15-10-14(2)8-4-3-5-13(14)16/h6-7,13,15-16H,3-5,8-10H2,1-2H3
InChIKeyKXMQBFMVDCTZMT-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.09
Rot. Bonds4

About 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol

2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 111696178) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID111696178
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(CNCC2(C)CCCCC2O)s1
InChIInChI=1S/C14H23NOS/c1-11-6-7-12(17-11)9-15-10-14(2)8-4-3-5-13(14)16/h6-7,13,15-16H,3-5,8-10H2,1-2H3
InChIKeyKXMQBFMVDCTZMT-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 111696178) is 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol is Cc1ccc(CNCC2(C)CCCCC2O)s1.
What is the InChIKey of 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is KXMQBFMVDCTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-6-7-12(17-11)9-15-10-14(2)8-4-3-5-13(14)16/h6-7,13,15-16H,3-5,8-10H2,1-2H3.
What are the key properties of 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol?
2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111696178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).