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

C11H23NO — CID 64851689

IUPAC3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)C)C1(C)C
InChIInChI=1S/C11H23NO/c1-6-13-10-7-9(11(10,4)5)12-8(2)3/h8-10,12H,6-7H2,1-5H3
InChIKeyHNBVXVPOMLIQKK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

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

3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine (PubChem CID 64851689) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
PubChem CID64851689
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)C)C1(C)C
InChIInChI=1S/C11H23NO/c1-6-13-10-7-9(11(10,4)5)12-8(2)3/h8-10,12H,6-7H2,1-5H3
InChIKeyHNBVXVPOMLIQKK-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
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-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine (CID 64851689) is 3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine is CCOC1CC(NC(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is HNBVXVPOMLIQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-13-10-7-9(11(10,4)5)12-8(2)3/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 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-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 64851689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).