4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol

C10H18N2OS — CID 144920989

IUPAC4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol
SMILESNCCCC(O)NCCc1cccs1
InChIInChI=1S/C10H18N2OS/c11-6-1-4-10(13)12-7-5-9-3-2-8-14-9/h2-3,8,10,12-13H,1,4-7,11H2
InChIKeyXSCMIFKIBZEPIB-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.94
Rot. Bonds7

About 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol

4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol (PubChem CID 144920989) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol
PubChem CID144920989
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol
SMILESNCCCC(O)NCCc1cccs1
InChIInChI=1S/C10H18N2OS/c11-6-1-4-10(13)12-7-5-9-3-2-8-14-9/h2-3,8,10,12-13H,1,4-7,11H2
InChIKeyXSCMIFKIBZEPIB-UHFFFAOYSA-N
XLogP0.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
10-thiophen-2-yldecan-1-amine
CID 22115195
3-thiophen-2-ylpropan-1-ol
CID 13109866
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
CID 106174788
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol?
The IUPAC name of 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol (CID 144920989) is 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol.
What is the SMILES notation for 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol?
The canonical SMILES for 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol is NCCCC(O)NCCc1cccs1.
What is the InChIKey of 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol?
The InChIKey is XSCMIFKIBZEPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c11-6-1-4-10(13)12-7-5-9-3-2-8-14-9/h2-3,8,10,12-13H,1,4-7,11H2.
What are the key properties of 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol?
4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-thiophen-2-ylethylamino)butan-1-ol is sourced from PubChem (CID 144920989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).