1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol

C14H23NOS — CID 60900091

IUPAC1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCCc2cccs2)CCCCCC1
InChIInChI=1S/C14H23NOS/c16-14(8-3-1-2-4-9-14)12-15-10-7-13-6-5-11-17-13/h5-6,11,15-16H,1-4,7-10,12H2
InChIKeyNSPLRXIYEKKWMF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.97
Rot. Bonds5

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

1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol (PubChem CID 60900091) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
PubChem CID60900091
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCCc2cccs2)CCCCCC1
InChIInChI=1S/C14H23NOS/c16-14(8-3-1-2-4-9-14)12-15-10-7-13-6-5-11-17-13/h5-6,11,15-16H,1-4,7-10,12H2
InChIKeyNSPLRXIYEKKWMF-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
1-[(1-hydroxycyclobutyl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 119148730
2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480348
N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 80722611
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
1-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65123112
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol
CID 155951487
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
CID 65105159
1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 103449732

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol (CID 60900091) is 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol is OC1(CNCCc2cccs2)CCCCCC1.
What is the InChIKey of 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol?
The InChIKey is NSPLRXIYEKKWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c16-14(8-3-1-2-4-9-14)12-15-10-7-13-6-5-11-17-13/h5-6,11,15-16H,1-4,7-10,12H2.
What are the key properties of 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol?
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60900091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).