2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol

C14H30N2S — CID 105418772

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
SMILESCC(C)C(CS)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H30N2S/c1-12(2)13(10-17)9-16(5)11-14(15(3)4)7-6-8-14/h12-13,17H,6-11H2,1-5H3
InChIKeyTUASDORTYPYWLF-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.60
Rot. Bonds7

About 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol (PubChem CID 105418772) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
PubChem CID105418772
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
SMILESCC(C)C(CS)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H30N2S/c1-12(2)13(10-17)9-16(5)11-14(15(3)4)7-6-8-14/h12-13,17H,6-11H2,1-5H3
InChIKeyTUASDORTYPYWLF-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropane-1-thiol
CID 105418786
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442883
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
CID 105415061
1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
CID 105414257

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol (CID 105418772) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol is CC(C)C(CS)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol?
The InChIKey is TUASDORTYPYWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-12(2)13(10-17)9-16(5)11-14(15(3)4)7-6-8-14/h12-13,17H,6-11H2,1-5H3.
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol has a molecular weight of 258.47 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol is sourced from PubChem (CID 105418772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).