(6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine

C13H23N — CID 138478288

IUPAC(6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine
SMILESC=CC(N)CC(C)/C=C\C(C)=C/CC
InChIInChI=1S/C13H23N/c1-5-7-11(3)8-9-12(4)10-13(14)6-2/h6-9,12-13H,2,5,10,14H2,1,3-4H3/b9-8-,11-7-
InChIKeyFEWVHOZNCFELNB-VVPOTFPNSA-N
MW193.33 g/mol
LogP3.44
Rot. Bonds6

About (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine

(6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine (PubChem CID 138478288) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine.

Molecular Properties

Compound Name(6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine
PubChem CID138478288
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine
SMILESC=CC(N)CC(C)/C=C\C(C)=C/CC
InChIInChI=1S/C13H23N/c1-5-7-11(3)8-9-12(4)10-13(14)6-2/h6-9,12-13H,2,5,10,14H2,1,3-4H3/b9-8-,11-7-
InChIKeyFEWVHOZNCFELNB-VVPOTFPNSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine?
The IUPAC name of (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine (CID 138478288) is (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine.
What is the SMILES notation for (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine?
The canonical SMILES for (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine is C=CC(N)CC(C)/C=C\C(C)=C/CC.
What is the InChIKey of (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine?
The InChIKey is FEWVHOZNCFELNB-VVPOTFPNSA-N. The full InChI is InChI=1S/C13H23N/c1-5-7-11(3)8-9-12(4)10-13(14)6-2/h6-9,12-13H,2,5,10,14H2,1,3-4H3/b9-8-,11-7-.
What are the key properties of (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine?
(6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine has a molecular weight of 193.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-5,8-dimethylundeca-1,6,8-trien-3-amine is sourced from PubChem (CID 138478288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).