3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine

C10H21NO2 — CID 66349846

IUPAC3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine
SMILESCOCC(C)OC1CC(N)C1(C)C
InChIInChI=1S/C10H21NO2/c1-7(6-12-4)13-9-5-8(11)10(9,2)3/h7-9H,5-6,11H2,1-4H3
InChIKeyOKMIIFSPJBIGEY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.16
Rot. Bonds4

About 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine

3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66349846) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66349846
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine
SMILESCOCC(C)OC1CC(N)C1(C)C
InChIInChI=1S/C10H21NO2/c1-7(6-12-4)13-9-5-8(11)10(9,2)3/h7-9H,5-6,11H2,1-4H3
InChIKeyOKMIIFSPJBIGEY-UHFFFAOYSA-N
XLogP1.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine (CID 66349846) is 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine is COCC(C)OC1CC(N)C1(C)C.
What is the InChIKey of 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is OKMIIFSPJBIGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(6-12-4)13-9-5-8(11)10(9,2)3/h7-9H,5-6,11H2,1-4H3.
What are the key properties of 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine?
3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66349846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).