4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol

C17H26N2OS — CID 105416374

IUPAC4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol
SMILESCN(Cc1ccc(C#CCCO)s1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H26N2OS/c1-18(2)17(10-6-11-17)14-19(3)13-16-9-8-15(21-16)7-4-5-12-20/h8-9,20H,5-6,10-14H2,1-3H3
InChIKeyUFLIQGFBSOARKY-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.40
Rot. Bonds6

About 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol

4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol (PubChem CID 105416374) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol
PubChem CID105416374
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol
SMILESCN(Cc1ccc(C#CCCO)s1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H26N2OS/c1-18(2)17(10-6-11-17)14-19(3)13-16-9-8-15(21-16)7-4-5-12-20/h8-9,20H,5-6,10-14H2,1-3H3
InChIKeyUFLIQGFBSOARKY-UHFFFAOYSA-N
XLogP2.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 105416381
4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 105416371
4-[5-[[methyl(2-methylsulfanylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 112663907
4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 65488783
4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 81062537
3-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63712300
4-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 104968455
4-[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophen-2-yl]but-3-yn-1-ol
CID 107394523
4-[5-(2-cyclopropylethoxymethyl)thiophen-2-yl]but-3-yn-1-ol
CID 114157752
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905303
[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 61075998
3-[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 79315415

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The IUPAC name of 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol (CID 105416374) is 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol is CN(Cc1ccc(C#CCCO)s1)CC1(N(C)C)CCC1.
What is the InChIKey of 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The InChIKey is UFLIQGFBSOARKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-18(2)17(10-6-11-17)14-19(3)13-16-9-8-15(21-16)7-4-5-12-20/h8-9,20H,5-6,10-14H2,1-3H3.
What are the key properties of 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol?
4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol has a molecular weight of 306.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol is sourced from PubChem (CID 105416374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).