3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

C12H23NO3 — CID 107386057

IUPAC3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)OCC(CNC2CC(O)C2(C)C)O1
InChIInChI=1S/C12H23NO3/c1-11(2)9(5-10(11)14)13-6-8-7-15-12(3,4)16-8/h8-10,13-14H,5-7H2,1-4H3
InChIKeyNQXPJJYYFWVRCO-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.89
Rot. Bonds3

About 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 107386057) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID107386057
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)OCC(CNC2CC(O)C2(C)C)O1
InChIInChI=1S/C12H23NO3/c1-11(2)9(5-10(11)14)13-6-8-7-15-12(3,4)16-8/h8-10,13-14H,5-7H2,1-4H3
InChIKeyNQXPJJYYFWVRCO-UHFFFAOYSA-N
XLogP0.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethoxy]ethanol
CID 64850385
1-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]-3-methoxypropan-2-ol
CID 64851362
1-[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol
CID 64851584
2-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]butan-1-ol
CID 64852287
2-[2-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol
CID 64852487
2-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]propan-1-ol
CID 64853071
3-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropane-1,2-diol
CID 66171130
3-[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propane-1,2-diol
CID 66176973
3-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]propane-1,2-diol
CID 66177385
N-(2,2-diethoxyethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 79548129
3-[2-(3-Methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563
3-[(1-Ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 103271627

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 107386057) is 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is CC1(C)OCC(CNC2CC(O)C2(C)C)O1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is NQXPJJYYFWVRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)9(5-10(11)14)13-6-8-7-15-12(3,4)16-8/h8-10,13-14H,5-7H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 107386057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).