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

C17H26N2OS — CID 105416371

IUPAC4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESCN(Cc1cc(C#CCCO)cs1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H26N2OS/c1-18(2)17(8-6-9-17)14-19(3)12-16-11-15(13-21-16)7-4-5-10-20/h11,13,20H,5-6,8-10,12,14H2,1-3H3
InChIKeyINLFJFBWEZXSDA-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.40
Rot. Bonds6

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

4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol (PubChem CID 105416371) 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-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol
PubChem CID105416371
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESCN(Cc1cc(C#CCCO)cs1)CC1(N(C)C)CCC1
InChIInChI=1S/C17H26N2OS/c1-18(2)17(8-6-9-17)14-19(3)12-16-11-15(13-21-16)7-4-5-10-20/h11,13,20H,5-6,8-10,12,14H2,1-3H3
InChIKeyINLFJFBWEZXSDA-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

4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 105416374
4-[5-[[methyl(2-methylsulfanylethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 112663914
2-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl-methylamino]cyclohexan-1-ol
CID 102636228
4-[5-[[2-ethoxyethyl(methyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81062349
1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-1,3,3-trimethylurea
CID 79154642
3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 105416381
3-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl-methylamino]butanenitrile
CID 63223914
4-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl-methylamino]benzonitrile
CID 62982088
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methyloxane-3-carboxamide
CID 62759781
4-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 63159381
4-[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107394526
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylthiadiazole-4-carboxamide
CID 65216559

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol (CID 105416371) is 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol is CN(Cc1cc(C#CCCO)cs1)CC1(N(C)C)CCC1.
What is the InChIKey of 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol?
The InChIKey is INLFJFBWEZXSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-18(2)17(8-6-9-17)14-19(3)12-16-11-15(13-21-16)7-4-5-10-20/h11,13,20H,5-6,8-10,12,14H2,1-3H3.
What are the key properties of 4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol?
4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-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-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 105416371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).