3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine

C14H29NO — CID 66352494

IUPAC3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1OCCC(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-14(7-2)11(15)10-12(14)16-9-8-13(3,4)5/h11-12H,6-10,15H2,1-5H3
InChIKeyMMCWIZRCCSTGSC-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds5

About 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine

3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine (PubChem CID 66352494) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine
PubChem CID66352494
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1OCCC(C)(C)C
InChIInChI=1S/C14H29NO/c1-6-14(7-2)11(15)10-12(14)16-9-8-13(3,4)5/h11-12H,6-10,15H2,1-5H3
InChIKeyMMCWIZRCCSTGSC-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
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)-2,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine (CID 66352494) is 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine is CCC1(CC)C(N)CC1OCCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine?
The InChIKey is MMCWIZRCCSTGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-14(7-2)11(15)10-12(14)16-9-8-13(3,4)5/h11-12H,6-10,15H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine?
3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-2,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 66352494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).