3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine

C13H27NO — CID 66353159

IUPAC3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1OCCC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-13(5)10(14)9-11(13)15-8-7-12(2,3)4/h10-11H,6-9,14H2,1-5H3
InChIKeyGTNGRCZALWJDEN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds4

About 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine

3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 66353159) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID66353159
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1OCCC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-13(5)10(14)9-11(13)15-8-7-12(2,3)4/h10-11H,6-9,14H2,1-5H3
InChIKeyGTNGRCZALWJDEN-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine (CID 66353159) is 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine is CCC1(C)C(N)CC1OCCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is GTNGRCZALWJDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-13(5)10(14)9-11(13)15-8-7-12(2,3)4/h10-11H,6-9,14H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine?
3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66353159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).