2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol

C13H21NOS — CID 60909745

IUPAC2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
SMILESCC(NC1CCCCCC1O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10(13-8-5-9-16-13)14-11-6-3-2-4-7-12(11)15/h5,8-12,14-15H,2-4,6-7H2,1H3
InChIKeyPGNTWHNCYRJHDB-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.09
Rot. Bonds3

About 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol

2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol (PubChem CID 60909745) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
PubChem CID60909745
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
SMILESCC(NC1CCCCCC1O)c1cccs1
InChIInChI=1S/C13H21NOS/c1-10(13-8-5-9-16-13)14-11-6-3-2-4-7-12(11)15/h5,8-12,14-15H,2-4,6-7H2,1H3
InChIKeyPGNTWHNCYRJHDB-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
trans-(1R,2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentan-1-ol
CID 102733840
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol
CID 54963529
2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398668
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
CID 81398612
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[1-(1,3-thiazol-5-yl)ethylamino]cyclohexan-1-ol
CID 115720070
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine
CID 102684058
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
cis-(1R,2S)-2-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 129432736

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol?
The IUPAC name of 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol (CID 60909745) is 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol is CC(NC1CCCCCC1O)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol?
The InChIKey is PGNTWHNCYRJHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(13-8-5-9-16-13)14-11-6-3-2-4-7-12(11)15/h5,8-12,14-15H,2-4,6-7H2,1H3.
What are the key properties of 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol?
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol is sourced from PubChem (CID 60909745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).