2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol

C16H33N3O — CID 115972353

IUPAC2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol
SMILESCC(C)C(CNC1CC(O)C1(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H33N3O/c1-12(2)13(19-8-6-18(5)7-9-19)11-17-14-10-15(20)16(14,3)4/h12-15,17,20H,6-11H2,1-5H3
InChIKeyULYCCLPGJLOIPM-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.01
Rot. Bonds5

About 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol (PubChem CID 115972353) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol
PubChem CID115972353
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol
SMILESCC(C)C(CNC1CC(O)C1(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H33N3O/c1-12(2)13(19-8-6-18(5)7-9-19)11-17-14-10-15(20)16(14,3)4/h12-15,17,20H,6-11H2,1-5H3
InChIKeyULYCCLPGJLOIPM-UHFFFAOYSA-N
XLogP1.01
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine
CID 79860281
2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)cyclobutan-1-ol
CID 112633842
4,4-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thian-3-amine
CID 79952644
3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine
CID 79461682
2,2-dimethyl-3-[(4-methyl-2-morpholin-4-ylpentyl)amino]cyclobutan-1-ol
CID 115972159
3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629443
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanamide
CID 114629418
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
CID 60761134
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol
CID 103952016
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 115976768

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol (CID 115972353) is 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol is CC(C)C(CNC1CC(O)C1(C)C)N1CCN(C)CC1.
What is the InChIKey of 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol?
The InChIKey is ULYCCLPGJLOIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12(2)13(19-8-6-18(5)7-9-19)11-17-14-10-15(20)16(14,3)4/h12-15,17,20H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 115972353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).