1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C10H19N3S — CID 66384977

IUPAC1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1sccc1N)N(C)C
InChIInChI=1S/C10H19N3S/c1-8(13(2)3)6-12-7-10-9(11)4-5-14-10/h4-5,8,12H,6-7,11H2,1-3H3
InChIKeyOWEAUTYCHSMUQT-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.37
Rot. Bonds5

About 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 66384977) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID66384977
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1sccc1N)N(C)C
InChIInChI=1S/C10H19N3S/c1-8(13(2)3)6-12-7-10-9(11)4-5-14-10/h4-5,8,12H,6-7,11H2,1-3H3
InChIKeyOWEAUTYCHSMUQT-UHFFFAOYSA-N
XLogP1.37
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-methyl-3-piperidin-1-ylpropyl)amino]methyl]thiophen-3-amine
CID 66387783
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521
2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol
CID 66387405
2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol
CID 66386526
3-[(3-aminothiophen-2-yl)methylamino]propanenitrile
CID 66385922
2-[(3-phenylbutylamino)methyl]thiophen-3-amine
CID 66385402
2-[(hexan-2-ylamino)methyl]thiophen-3-amine
CID 66385998
2-[(3-ethylpentan-3-ylamino)methyl]thiophen-3-amine
CID 66385813
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]thiophen-3-amine
CID 114941526
2-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66385806
2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine
CID 106181412
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 66384977) is 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1sccc1N)N(C)C.
What is the InChIKey of 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is OWEAUTYCHSMUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(13(2)3)6-12-7-10-9(11)4-5-14-10/h4-5,8,12H,6-7,11H2,1-3H3.
What are the key properties of 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 66384977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).