2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol

C13H21NOS — CID 64927505

IUPAC2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1ccsc1
InChIInChI=1S/C13H21NOS/c1-10(12-6-7-16-9-12)14-8-11-4-2-3-5-13(11)15/h6-7,9-11,13-15H,2-5,8H2,1H3
InChIKeyPOGMNITVOMMEDW-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.95
Rot. Bonds4

About 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol

2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol (PubChem CID 64927505) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
PubChem CID64927505
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1ccsc1
InChIInChI=1S/C13H21NOS/c1-10(12-6-7-16-9-12)14-8-11-4-2-3-5-13(11)15/h6-7,9-11,13-15H,2-5,8H2,1H3
InChIKeyPOGMNITVOMMEDW-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
CID 102733418
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113437563
2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol
CID 64928442
N-[(1,1-dioxothiolan-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 81038590
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
CID 115907862

Frequently Asked Questions

What is the IUPAC name of 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol (CID 64927505) is 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol is CC(NCC1CCCCC1O)c1ccsc1.
What is the InChIKey of 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is POGMNITVOMMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(12-6-7-16-9-12)14-8-11-4-2-3-5-13(11)15/h6-7,9-11,13-15H,2-5,8H2,1H3.
What are the key properties of 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol?
2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).