4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol

C14H30N2O — CID 105417432

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H30N2O/c1-12(17)13(2,3)10-16(6)11-14(15(4)5)8-7-9-14/h12,17H,7-11H2,1-6H3
InChIKeyFTKARCQAPKCEHE-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.81
Rot. Bonds6

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol (PubChem CID 105417432) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
PubChem CID105417432
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H30N2O/c1-12(17)13(2,3)10-16(6)11-14(15(4)5)8-7-9-14/h12,17H,7-11H2,1-6H3
InChIKeyFTKARCQAPKCEHE-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol with MolForge

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Related Compounds

1-(4-Tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 58055828
(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 146548373
(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 146549778
1-[2-(Dimethylamino)ethyl-(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
CID 55098429
1-[2-(Dimethylamino)ethyl-propylamino]-4,4-dimethylpentan-3-ol
CID 62624288
1-[Cyclobutylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62860514
4,4-Dimethyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-ol
CID 63620764
1-[2-(Dimethylamino)ethyl-methylamino]-4,4-dimethylpentan-3-ol
CID 63700028
4,4-Dimethyl-1-[methyl(2-methylbutan-2-yl)amino]pentan-3-ol
CID 63964753
4-(4-Tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 66452400
4-[3-(Dimethylamino)piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66452408
3,3-Dimethyl-4-[methyl(pentyl)amino]butan-2-ol
CID 66452608

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol (CID 105417432) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol is CC(O)C(C)(C)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is FTKARCQAPKCEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(17)13(2,3)10-16(6)11-14(15(4)5)8-7-9-14/h12,17H,7-11H2,1-6H3.
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 105417432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).