2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol

C14H23NOS — CID 65395475

IUPAC2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol
SMILESCCc1ccc(CC2(CN)CCCCC2O)s1
InChIInChI=1S/C14H23NOS/c1-2-11-6-7-12(17-11)9-14(10-15)8-4-3-5-13(14)16/h6-7,13,16H,2-5,8-10,15H2,1H3
InChIKeyMYSZTHBDPXKBRO-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.73
Rot. Bonds4

About 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol

2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol (PubChem CID 65395475) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol
PubChem CID65395475
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol
SMILESCCc1ccc(CC2(CN)CCCCC2O)s1
InChIInChI=1S/C14H23NOS/c1-2-11-6-7-12(17-11)9-14(10-15)8-4-3-5-13(14)16/h6-7,13,16H,2-5,8-10,15H2,1H3
InChIKeyMYSZTHBDPXKBRO-UHFFFAOYSA-N
XLogP2.73
TPSA46.25 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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2,2-dimethyl-3-(thiophen-2-yl)propan-1-ol
CID 119031384
3-Amino-2-methyl-2-(thiophen-2-ylmethyl)propan-1-ol
CID 24265047
3-Amino-2-thiophen-2-yl-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 81934282
3-Amino-1-(4,4-difluorocyclohexyl)-2-thiophen-2-ylpropan-1-ol
CID 81934338
2-(Aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)propan-1-ol
CID 106505945
2-(Aminomethyl)-2-(3,5-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-1-ol
CID 106506949
2-(Aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol
CID 106507058
2-(Aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 106507205
3-Amino-2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propan-1-ol
CID 165637330
4-(Aminomethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]cyclohexan-1-ol
CID 165649040
3-(Aminomethyl)-3-[5-(trifluoromethyl)thiophen-2-yl]cyclobutan-1-ol
CID 165742044
2-amino-4-[5-[(E)-5-cyclohexylpent-1-enyl]thiophen-2-yl]-2-methylbutan-1-ol
CID 9923818

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol (CID 65395475) is 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol is CCc1ccc(CC2(CN)CCCCC2O)s1.
What is the InChIKey of 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is MYSZTHBDPXKBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-11-6-7-12(17-11)9-14(10-15)8-4-3-5-13(14)16/h6-7,13,16H,2-5,8-10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65395475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).