3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine

C13H27NO — CID 64852861

IUPAC3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine
SMILESCCCC(C)NC1CC(OCC)C1(C)C
InChIInChI=1S/C13H27NO/c1-6-8-10(3)14-11-9-12(15-7-2)13(11,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyPGZSMIPNMOCHAV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine (PubChem CID 64852861) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine
PubChem CID64852861
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine
SMILESCCCC(C)NC1CC(OCC)C1(C)C
InChIInChI=1S/C13H27NO/c1-6-8-10(3)14-11-9-12(15-7-2)13(11,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyPGZSMIPNMOCHAV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine (CID 64852861) is 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine is CCCC(C)NC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine?
The InChIKey is PGZSMIPNMOCHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-10(3)14-11-9-12(15-7-2)13(11,4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-pentan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 64852861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).