2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride

C10H20Cl2N2OS — CID 17213960

IUPAC2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCCNCc1cccs1
InChIInChI=1S/C10H18N2OS.2ClH/c13-7-6-11-4-2-5-12-9-10-3-1-8-14-10;;/h1,3,8,11-13H,2,4-7,9H2;2*1H
InChIKeyRICSFJIBOZDKQZ-UHFFFAOYSA-N
MW287.26 g/mol
LogP1.65
Rot. Bonds8

About 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride

2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride (PubChem CID 17213960) has the molecular formula C10H20Cl2N2OS and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
PubChem CID17213960
Molecular FormulaC10H20Cl2N2OS
Molecular Weight287.26 g/mol
Exact Mass286.07
IUPAC Name2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCCNCc1cccs1
InChIInChI=1S/C10H18N2OS.2ClH/c13-7-6-11-4-2-5-12-9-10-3-1-8-14-10;;/h1,3,8,11-13H,2,4-7,9H2;2*1H
InChIKeyRICSFJIBOZDKQZ-UHFFFAOYSA-N
XLogP1.65
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-thiophen-2-ylpentylamino)ethanol
CID 83980456
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 142036010
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 114289826
3-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride
CID 17123333
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride (CID 17213960) is 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCCNCc1cccs1.
What is the InChIKey of 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride?
The InChIKey is RICSFJIBOZDKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS.2ClH/c13-7-6-11-4-2-5-12-9-10-3-1-8-14-10;;/h1,3,8,11-13H,2,4-7,9H2;2*1H.
What are the key properties of 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride?
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride has a molecular weight of 287.26 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17213960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).