(5E)-3-ethyl-5-propylocta-1,5-dien-2-amine

C13H25N — CID 134224337

IUPAC(5E)-3-ethyl-5-propylocta-1,5-dien-2-amine
SMILESC=C(N)C(CC)C/C(=C/CC)CCC
InChIInChI=1S/C13H25N/c1-5-8-12(9-6-2)10-13(7-3)11(4)14/h8,13H,4-7,9-10,14H2,1-3H3/b12-8+
InChIKeyATQQTMLEYHGLSQ-XYOKQWHBSA-N
MW195.35 g/mol
LogP4.01
Rot. Bonds7

About (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine

(5E)-3-ethyl-5-propylocta-1,5-dien-2-amine (PubChem CID 134224337) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine.

Molecular Properties

Compound Name(5E)-3-ethyl-5-propylocta-1,5-dien-2-amine
PubChem CID134224337
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(5E)-3-ethyl-5-propylocta-1,5-dien-2-amine
SMILESC=C(N)C(CC)C/C(=C/CC)CCC
InChIInChI=1S/C13H25N/c1-5-8-12(9-6-2)10-13(7-3)11(4)14/h8,13H,4-7,9-10,14H2,1-3H3/b12-8+
InChIKeyATQQTMLEYHGLSQ-XYOKQWHBSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.01
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 (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine?
The IUPAC name of (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine (CID 134224337) is (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine.
What is the SMILES notation for (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine?
The canonical SMILES for (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine is C=C(N)C(CC)C/C(=C/CC)CCC.
What is the InChIKey of (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine?
The InChIKey is ATQQTMLEYHGLSQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H25N/c1-5-8-12(9-6-2)10-13(7-3)11(4)14/h8,13H,4-7,9-10,14H2,1-3H3/b12-8+.
What are the key properties of (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine?
(5E)-3-ethyl-5-propylocta-1,5-dien-2-amine has a molecular weight of 195.35 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-propylocta-1,5-dien-2-amine is sourced from PubChem (CID 134224337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).