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

C16H24N2OS — CID 105416381

IUPAC3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESCN(Cc1ccc(C#CCO)s1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H24N2OS/c1-17(2)16(9-5-10-16)13-18(3)12-15-8-7-14(20-15)6-4-11-19/h7-8,19H,5,9-13H2,1-3H3
InChIKeyRDXQKAACKRCDDV-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.01
Rot. Bonds5

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

3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol (PubChem CID 105416381) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
PubChem CID105416381
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESCN(Cc1ccc(C#CCO)s1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H24N2OS/c1-17(2)16(9-5-10-16)13-18(3)12-15-8-7-14(20-15)6-4-11-19/h7-8,19H,5,9-13H2,1-3H3
InChIKeyRDXQKAACKRCDDV-UHFFFAOYSA-N
XLogP2.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.01
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
3-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63712300
3-[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 79315415
3-[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63683370
4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 105416371
3-[5-[[cyclopropyl(cyclopropylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 64521626
4-[5-[[methyl(2-methylsulfanylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 112663907
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905303
4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 65488783
3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 107484908
4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 81062537
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361524

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol (CID 105416381) is 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol is CN(Cc1ccc(C#CCO)s1)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The InChIKey is RDXQKAACKRCDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17(2)16(9-5-10-16)13-18(3)12-15-8-7-14(20-15)6-4-11-19/h7-8,19H,5,9-13H2,1-3H3.
What are the key properties of 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol?
3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol has a molecular weight of 292.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 105416381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).