2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol

C14H25NOS — CID 81418517

IUPAC2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
SMILESCCCC(NCC(C)(CC)CO)c1cccs1
InChIInChI=1S/C14H25NOS/c1-4-7-12(13-8-6-9-17-13)15-10-14(3,5-2)11-16/h6,8-9,12,15-16H,4-5,7,10-11H2,1-3H3
InChIKeyUHNKVGBPHCCZHS-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.59
Rot. Bonds8

About 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol

2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol (PubChem CID 81418517) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
PubChem CID81418517
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
SMILESCCCC(NCC(C)(CC)CO)c1cccs1
InChIInChI=1S/C14H25NOS/c1-4-7-12(13-8-6-9-17-13)15-10-14(3,5-2)11-16/h6,8-9,12,15-16H,4-5,7,10-11H2,1-3H3
InChIKeyUHNKVGBPHCCZHS-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418518
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
CID 114996883
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 54886658
N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 104575012
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 115359283

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol (CID 81418517) is 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol is CCCC(NCC(C)(CC)CO)c1cccs1.
What is the InChIKey of 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol?
The InChIKey is UHNKVGBPHCCZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-4-7-12(13-8-6-9-17-13)15-10-14(3,5-2)11-16/h6,8-9,12,15-16H,4-5,7,10-11H2,1-3H3.
What are the key properties of 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol?
2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol has a molecular weight of 255.43 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol is sourced from PubChem (CID 81418517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).