(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine

C12H25N — CID 87744529

IUPAC(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine
SMILESCCCCC/C(=C\CN(C)C)CC
InChIInChI=1S/C12H25N/c1-5-7-8-9-12(6-2)10-11-13(3)4/h10H,5-9,11H2,1-4H3/b12-10-
InChIKeySGUJIURYWQCFLU-BENRWUELSA-N
MW183.34 g/mol
LogP3.46
Rot. Bonds7

About (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine

(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine (PubChem CID 87744529) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine
PubChem CID87744529
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine
SMILESCCCCC/C(=C\CN(C)C)CC
InChIInChI=1S/C12H25N/c1-5-7-8-9-12(6-2)10-11-13(3)4/h10H,5-9,11H2,1-4H3/b12-10-
InChIKeySGUJIURYWQCFLU-BENRWUELSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-ethylundec-5-ene
CID 102395453
(E)-3-ethyloct-2-en-1-ol
CID 13383767
(E)-5-ethyldec-4-ene
CID 173194379
6-ethyltridec-6-ene
CID 123238287
5-ethyldodec-4-ene
CID 123814834
(Z)-7-ethyltetradec-7-ene
CID 134978641
(E)-3-ethyldec-2-en-1-ol
CID 118599698
(E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine
CID 137432392
5-ethyltetradec-5-ene
CID 54129215
3-ethyloct-2-en-1-ol;formic acid
CID 71407316
6-ethylidenehexadecane
CID 169207706
4-propylnon-3-ene
CID 57321984

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine?
The IUPAC name of (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine (CID 87744529) is (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine.
What is the SMILES notation for (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine?
The canonical SMILES for (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine is CCCCC/C(=C\CN(C)C)CC.
What is the InChIKey of (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine?
The InChIKey is SGUJIURYWQCFLU-BENRWUELSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-8-9-12(6-2)10-11-13(3)4/h10H,5-9,11H2,1-4H3/b12-10-.
What are the key properties of (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine?
(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine is sourced from PubChem (CID 87744529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).