2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol

C14H23NOS — CID 80526507

IUPAC2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
SMILESCC(C)(CNC1CCCCC1O)c1cccs1
InChIInChI=1S/C14H23NOS/c1-14(2,13-8-5-9-17-13)10-15-11-6-3-4-7-12(11)16/h5,8-9,11-12,15-16H,3-4,6-7,10H2,1-2H3
InChIKeyKPNLLQQILULIPW-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.92
Rot. Bonds4

About 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol

2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol (PubChem CID 80526507) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
PubChem CID80526507
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
SMILESCC(C)(CNC1CCCCC1O)c1cccs1
InChIInChI=1S/C14H23NOS/c1-14(2,13-8-5-9-17-13)10-15-11-6-3-4-7-12(11)16/h5,8-9,11-12,15-16H,3-4,6-7,10H2,1-2H3
InChIKeyKPNLLQQILULIPW-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526033
2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526151
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373
2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80526208
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 80526434
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
2-[(2-methyl-2-phenylpropyl)amino]cyclopentan-1-ol
CID 54886223
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
1-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115689454
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol (CID 80526507) is 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol is CC(C)(CNC1CCCCC1O)c1cccs1.
What is the InChIKey of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol?
The InChIKey is KPNLLQQILULIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-14(2,13-8-5-9-17-13)10-15-11-6-3-4-7-12(11)16/h5,8-9,11-12,15-16H,3-4,6-7,10H2,1-2H3.
What are the key properties of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol?
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80526507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).