1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol

C10H18N2OS — CID 43528180

IUPAC1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCNCC(O)CN(C)Cc1ccsc1
InChIInChI=1S/C10H18N2OS/c1-11-5-10(13)7-12(2)6-9-3-4-14-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3
InChIKeyIUJFXRCCENWKGH-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.76
Rot. Bonds6

About 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol

1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 43528180) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID43528180
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCNCC(O)CN(C)Cc1ccsc1
InChIInChI=1S/C10H18N2OS/c1-11-5-10(13)7-12(2)6-9-3-4-14-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3
InChIKeyIUJFXRCCENWKGH-UHFFFAOYSA-N
XLogP0.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 64996092
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine
CID 106915888
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195
4-[1-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]ethyl]benzonitrile
CID 43528196
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 81101740
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 55051728
1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 66452759

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol (CID 43528180) is 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol is CNCC(O)CN(C)Cc1ccsc1.
What is the InChIKey of 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is IUJFXRCCENWKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-11-5-10(13)7-12(2)6-9-3-4-14-8-9/h3-4,8,10-11,13H,5-7H2,1-2H3.
What are the key properties of 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol?
1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 43528180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).