(Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine

C13H25N — CID 166865540

IUPAC(Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine
SMILESC/C=C(CCCC)\C(=C/CN)CCC
InChIInChI=1S/C13H25N/c1-4-7-9-12(6-3)13(8-5-2)10-11-14/h6,10H,4-5,7-9,11,14H2,1-3H3/b12-6-,13-10-
InChIKeyBDSFYDLWFVMKLC-HVZNDUSUSA-N
MW195.35 g/mol
LogP3.81
Rot. Bonds7

About (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine

(Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine (PubChem CID 166865540) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine.

Molecular Properties

Compound Name(Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine
PubChem CID166865540
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine
SMILESC/C=C(CCCC)\C(=C/CN)CCC
InChIInChI=1S/C13H25N/c1-4-7-9-12(6-3)13(8-5-2)10-11-14/h6,10H,4-5,7-9,11,14H2,1-3H3/b12-6-,13-10-
InChIKeyBDSFYDLWFVMKLC-HVZNDUSUSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine?
The IUPAC name of (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine (CID 166865540) is (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine.
What is the SMILES notation for (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine?
The canonical SMILES for (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine is C/C=C(CCCC)\C(=C/CN)CCC.
What is the InChIKey of (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine?
The InChIKey is BDSFYDLWFVMKLC-HVZNDUSUSA-N. The full InChI is InChI=1S/C13H25N/c1-4-7-9-12(6-3)13(8-5-2)10-11-14/h6,10H,4-5,7-9,11,14H2,1-3H3/b12-6-,13-10-.
What are the key properties of (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine?
(Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine is sourced from PubChem (CID 166865540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).