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

C13H21NOS — CID 114762644

IUPAC4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
SMILESCN(CCc1cccs1)C1CCC(O)CC1
InChIInChI=1S/C13H21NOS/c1-14(9-8-13-3-2-10-16-13)11-4-6-12(15)7-5-11/h2-3,10-12,15H,4-9H2,1H3
InChIKeyMMBFSCXRMCAVDA-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.53
Rot. Bonds4

About 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol

4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol (PubChem CID 114762644) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
PubChem CID114762644
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
SMILESCN(CCc1cccs1)C1CCC(O)CC1
InChIInChI=1S/C13H21NOS/c1-14(9-8-13-3-2-10-16-13)11-4-6-12(15)7-5-11/h2-3,10-12,15H,4-9H2,1H3
InChIKeyMMBFSCXRMCAVDA-UHFFFAOYSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
3-[cyclopropyl-[methyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61197167
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 124516580

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol (CID 114762644) is 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol is CN(CCc1cccs1)C1CCC(O)CC1.
What is the InChIKey of 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol?
The InChIKey is MMBFSCXRMCAVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-14(9-8-13-3-2-10-16-13)11-4-6-12(15)7-5-11/h2-3,10-12,15H,4-9H2,1H3.
What are the key properties of 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol?
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 114762644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).