1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol

C14H26N2OS — CID 113317503

IUPAC1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCC(c1cccs1)N(C)CC(O)CNC(C)(C)C
InChIInChI=1S/C14H26N2OS/c1-11(13-7-6-8-18-13)16(5)10-12(17)9-15-14(2,3)4/h6-8,11-12,15,17H,9-10H2,1-5H3
InChIKeyBDDJQEPYMAXIIA-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.49
Rot. Bonds6

About 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol

1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol (PubChem CID 113317503) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
PubChem CID113317503
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCC(c1cccs1)N(C)CC(O)CNC(C)(C)C
InChIInChI=1S/C14H26N2OS/c1-11(13-7-6-8-18-13)16(5)10-12(17)9-15-14(2,3)4/h6-8,11-12,15,17H,9-10H2,1-5H3
InChIKeyBDDJQEPYMAXIIA-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 110882281
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine
CID 62431010
2-[(2S)-2-hydroxy-3-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]propyl]isoindole-1,3-dione
CID 94782974
2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63071477
1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79409024
3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
CID 110663757
2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431007
2-(ethylamino)-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62834566
N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366231
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol
CID 110897675

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol (CID 113317503) is 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol is CC(c1cccs1)N(C)CC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The InChIKey is BDDJQEPYMAXIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11(13-7-6-8-18-13)16(5)10-12(17)9-15-14(2,3)4/h6-8,11-12,15,17H,9-10H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol has a molecular weight of 270.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 113317503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).