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

C15H25NOS — CID 54963529

IUPAC2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol
SMILESCC(C)C(NC1CCCCCC1O)c1cccs1
InChIInChI=1S/C15H25NOS/c1-11(2)15(14-9-6-10-18-14)16-12-7-4-3-5-8-13(12)17/h6,9-13,15-17H,3-5,7-8H2,1-2H3
InChIKeyXGADWQQMNKMLTC-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.73
Rot. Bonds4

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

2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol (PubChem CID 54963529) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol
PubChem CID54963529
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol
SMILESCC(C)C(NC1CCCCCC1O)c1cccs1
InChIInChI=1S/C15H25NOS/c1-11(2)15(14-9-6-10-18-14)16-12-7-4-3-5-8-13(12)17/h6,9-13,15-17H,3-5,7-8H2,1-2H3
InChIKeyXGADWQQMNKMLTC-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
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
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
2-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43786628
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398668
3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64594870
2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol
CID 53234756
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol?
The IUPAC name of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol (CID 54963529) is 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol?
The canonical SMILES for 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol is CC(C)C(NC1CCCCCC1O)c1cccs1.
What is the InChIKey of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol?
The InChIKey is XGADWQQMNKMLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11(2)15(14-9-6-10-18-14)16-12-7-4-3-5-8-13(12)17/h6,9-13,15-17H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol?
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]cycloheptan-1-ol is sourced from PubChem (CID 54963529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).