1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol

C13H28N2O — CID 105416413

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H28N2O/c1-11(2)12(16)9-15(5)10-13(14(3)4)7-6-8-13/h11-12,16H,6-10H2,1-5H3
InChIKeyJQXUZVGCSZWQPE-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds6

About 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol

1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol (PubChem CID 105416413) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
PubChem CID105416413
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H28N2O/c1-11(2)12(16)9-15(5)10-13(14(3)4)7-6-8-13/h11-12,16H,6-10H2,1-5H3
InChIKeyJQXUZVGCSZWQPE-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105417432
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
CID 105415061
1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
CID 105414257
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992271
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 105414502

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol (CID 105416413) is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol is CC(C)C(O)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol?
The InChIKey is JQXUZVGCSZWQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)12(16)9-15(5)10-13(14(3)4)7-6-8-13/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol?
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 105416413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).