1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine

C11H21N — CID 154963157

IUPAC1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(=C1CCC1)C(C)CC
InChIInChI=1S/C11H21N/c1-4-9(3)11(12-5-2)10-7-6-8-10/h9,12H,4-8H2,1-3H3
InChIKeyLRJWYYHTIFIVRV-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.08
Rot. Bonds4

About 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine

1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine (PubChem CID 154963157) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine
PubChem CID154963157
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(=C1CCC1)C(C)CC
InChIInChI=1S/C11H21N/c1-4-9(3)11(12-5-2)10-7-6-8-10/h9,12H,4-8H2,1-3H3
InChIKeyLRJWYYHTIFIVRV-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine (CID 154963157) is 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine is CCNC(=C1CCC1)C(C)CC.
What is the InChIKey of 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine?
The InChIKey is LRJWYYHTIFIVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-9(3)11(12-5-2)10-7-6-8-10/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine?
1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 154963157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).