2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol

C10H16N2OS — CID 66387405

IUPAC2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol
SMILESNc1ccsc1CNCC(O)C1CC1
InChIInChI=1S/C10H16N2OS/c11-8-3-4-14-10(8)6-12-5-9(13)7-1-2-7/h3-4,7,9,12-13H,1-2,5-6,11H2
InChIKeyNIKPNKXONKINCG-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.19
Rot. Bonds5

About 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol

2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol (PubChem CID 66387405) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol
PubChem CID66387405
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol
SMILESNc1ccsc1CNCC(O)C1CC1
InChIInChI=1S/C10H16N2OS/c11-8-3-4-14-10(8)6-12-5-9(13)7-1-2-7/h3-4,7,9,12-13H,1-2,5-6,11H2
InChIKeyNIKPNKXONKINCG-UHFFFAOYSA-N
XLogP1.19
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-Aminothiophen-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105643874
3-[(3-Aminothiophen-2-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105644526
3-[(3-Aminothiophen-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106173044
2-Cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol
CID 61310584
1-Cyclopropyl-2-(thiophen-2-ylmethylamino)ethanol
CID 63294169
1-Cyclopropyl-2-[(3-methylthiophen-2-yl)methylamino]ethanol
CID 63294305
1-Cyclopropyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 63294577
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-carboxamide
CID 63294681
1-Cyclopropyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63294773
1-Cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol
CID 63295032
1-Cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol
CID 63295222
2-[[3-(Cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine
CID 66384909

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol (CID 66387405) is 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol is Nc1ccsc1CNCC(O)C1CC1.
What is the InChIKey of 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol?
The InChIKey is NIKPNKXONKINCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-8-3-4-14-10(8)6-12-5-9(13)7-1-2-7/h3-4,7,9,12-13H,1-2,5-6,11H2.
What are the key properties of 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol?
2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol has a molecular weight of 212.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 66387405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).