(E)-4-cyclobutyl-N-propylbut-3-en-2-amine

C11H21N — CID 103092744

IUPAC(E)-4-cyclobutyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/C1CCC1
InChIInChI=1S/C11H21N/c1-3-9-12-10(2)7-8-11-5-4-6-11/h7-8,10-12H,3-6,9H2,1-2H3/b8-7+
InChIKeyXYBYEOJBRBCEFK-BQYQJAHWSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds5

About (E)-4-cyclobutyl-N-propylbut-3-en-2-amine

(E)-4-cyclobutyl-N-propylbut-3-en-2-amine (PubChem CID 103092744) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-4-cyclobutyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-cyclobutyl-N-propylbut-3-en-2-amine
PubChem CID103092744
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-4-cyclobutyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/C1CCC1
InChIInChI=1S/C11H21N/c1-3-9-12-10(2)7-8-11-5-4-6-11/h7-8,10-12H,3-6,9H2,1-2H3/b8-7+
InChIKeyXYBYEOJBRBCEFK-BQYQJAHWSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclobutyl-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-cyclobutyl-N-propylbut-3-en-2-amine (CID 103092744) is (E)-4-cyclobutyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-cyclobutyl-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-cyclobutyl-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/C1CCC1.
What is the InChIKey of (E)-4-cyclobutyl-N-propylbut-3-en-2-amine?
The InChIKey is XYBYEOJBRBCEFK-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21N/c1-3-9-12-10(2)7-8-11-5-4-6-11/h7-8,10-12H,3-6,9H2,1-2H3/b8-7+.
What are the key properties of (E)-4-cyclobutyl-N-propylbut-3-en-2-amine?
(E)-4-cyclobutyl-N-propylbut-3-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclobutyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).