3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol

C10H18N2OS — CID 65378659

IUPAC3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol
SMILESCc1ccsc1C(CN)NCCCO
InChIInChI=1S/C10H18N2OS/c1-8-3-6-14-10(8)9(7-11)12-4-2-5-13/h3,6,9,12-13H,2,4-5,7,11H2,1H3
InChIKeyBZQTYXHYXXLUCI-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.03
Rot. Bonds6

About 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol

3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol (PubChem CID 65378659) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol
PubChem CID65378659
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol
SMILESCc1ccsc1C(CN)NCCCO
InChIInChI=1S/C10H18N2OS/c1-8-3-6-14-10(8)9(7-11)12-4-2-5-13/h3,6,9,12-13H,2,4-5,7,11H2,1H3
InChIKeyBZQTYXHYXXLUCI-UHFFFAOYSA-N
XLogP1.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.03
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

N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62541320
N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 65385553
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
N-[2-ethylsulfanyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 79987744
1-(3-methylthiophen-2-yl)pentylhydrazine
CID 105245717
N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 107316866
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol (CID 65378659) is 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol is Cc1ccsc1C(CN)NCCCO.
What is the InChIKey of 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol?
The InChIKey is BZQTYXHYXXLUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-3-6-14-10(8)9(7-11)12-4-2-5-13/h3,6,9,12-13H,2,4-5,7,11H2,1H3.
What are the key properties of 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol?
3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 65378659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).