(2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine

C12H19N — CID 126482985

IUPAC(2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine
SMILESC=C/C=C/C=C/CCC/C=C(/C)N
InChIInChI=1S/C12H19N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-7,11H,1,8-10,13H2,2H3/b5-4+,7-6+,12-11-
InChIKeyUAECTYFWYPAXTE-CRUWOBJUSA-N
MW177.29 g/mol
LogP3.32
Rot. Bonds6

About (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine

(2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 126482985) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound Name(2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine
PubChem CID126482985
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine
SMILESC=C/C=C/C=C/CCC/C=C(/C)N
InChIInChI=1S/C12H19N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-7,11H,1,8-10,13H2,2H3/b5-4+,7-6+,12-11-
InChIKeyUAECTYFWYPAXTE-CRUWOBJUSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine (CID 126482985) is (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine.
What is the SMILES notation for (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine is C=C/C=C/C=C/CCC/C=C(/C)N.
What is the InChIKey of (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is UAECTYFWYPAXTE-CRUWOBJUSA-N. The full InChI is InChI=1S/C12H19N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-7,11H,1,8-10,13H2,2H3/b5-4+,7-6+,12-11-.
What are the key properties of (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine?
(2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 177.29 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7E,9E)-dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 126482985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).