(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine

C12H23N — CID 130217220

IUPAC(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine
SMILESC/C=C(\C=C/CN)C(CC)CCC
InChIInChI=1S/C12H23N/c1-4-8-11(5-2)12(6-3)9-7-10-13/h6-7,9,11H,4-5,8,10,13H2,1-3H3/b9-7-,12-6+
InChIKeyWFKXFWRXFRRBCR-GIFINZEMSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds6

About (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine

(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine (PubChem CID 130217220) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine.

Molecular Properties

Compound Name(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine
PubChem CID130217220
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine
SMILESC/C=C(\C=C/CN)C(CC)CCC
InChIInChI=1S/C12H23N/c1-4-8-11(5-2)12(6-3)9-7-10-13/h6-7,9,11H,4-5,8,10,13H2,1-3H3/b9-7-,12-6+
InChIKeyWFKXFWRXFRRBCR-GIFINZEMSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-ethyl-4-ethylidenehept-2-ene
CID 58547926
4-ethyl-6-methylhepta-2,4-dien-1-amine
CID 54417124
ethane;2-ethylpentanamide
CID 178117178
2-ethylpentanamide;hydrochloride
CID 121334657
(2E,4Z,6E)-7-propyl-6-propylidenedeca-2,4-diene-3-thiol
CID 138498137
(E)-N-methyl-6-propylnon-3-en-5-imine
CID 153374577
4-methylidene-5-propyloct-2-ene
CID 90714762
2-ethylpentaneperoxoic acid
CID 178072085
N-[(E)-but-2-enyl]-2-ethylpentanamide
CID 178010270
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide
CID 170240540

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine?
The IUPAC name of (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine (CID 130217220) is (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine.
What is the SMILES notation for (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine?
The canonical SMILES for (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine is C/C=C(\C=C/CN)C(CC)CCC.
What is the InChIKey of (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine?
The InChIKey is WFKXFWRXFRRBCR-GIFINZEMSA-N. The full InChI is InChI=1S/C12H23N/c1-4-8-11(5-2)12(6-3)9-7-10-13/h6-7,9,11H,4-5,8,10,13H2,1-3H3/b9-7-,12-6+.
What are the key properties of (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine?
(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine is sourced from PubChem (CID 130217220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).