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

C11H23N — CID 152838706

IUPAC3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine
SMILESCCC1(C)CC(C)(NC(C)C)C1
InChIInChI=1S/C11H23N/c1-6-10(4)7-11(5,8-10)12-9(2)3/h9,12H,6-8H2,1-5H3
InChIKeySYFMIPPTOYONDD-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds3

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

3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine (PubChem CID 152838706) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine
PubChem CID152838706
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine
SMILESCCC1(C)CC(C)(NC(C)C)C1
InChIInChI=1S/C11H23N/c1-6-10(4)7-11(5,8-10)12-9(2)3/h9,12H,6-8H2,1-5H3
InChIKeySYFMIPPTOYONDD-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine (CID 152838706) is 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine is CCC1(C)CC(C)(NC(C)C)C1.
What is the InChIKey of 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is SYFMIPPTOYONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-10(4)7-11(5,8-10)12-9(2)3/h9,12H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine?
3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-dimethyl-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 152838706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).