(1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine

C11H19N — CID 138751856

IUPAC(1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine
SMILESC/C=C(\C=C/C=C\N)C(C)(C)C
InChIInChI=1S/C11H19N/c1-5-10(11(2,3)4)8-6-7-9-12/h5-9H,12H2,1-4H3/b8-6-,9-7-,10-5+
InChIKeyXNJCQMQHEZDMQO-JLAJXHCKSA-N
MW165.28 g/mol
LogP3.01
Rot. Bonds2

About (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine

(1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine (PubChem CID 138751856) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine
PubChem CID138751856
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine
SMILESC/C=C(\C=C/C=C\N)C(C)(C)C
InChIInChI=1S/C11H19N/c1-5-10(11(2,3)4)8-6-7-9-12/h5-9H,12H2,1-4H3/b8-6-,9-7-,10-5+
InChIKeyXNJCQMQHEZDMQO-JLAJXHCKSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.01
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 (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine (CID 138751856) is (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine is C/C=C(\C=C/C=C\N)C(C)(C)C.
What is the InChIKey of (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine?
The InChIKey is XNJCQMQHEZDMQO-JLAJXHCKSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10(11(2,3)4)8-6-7-9-12/h5-9H,12H2,1-4H3/b8-6-,9-7-,10-5+.
What are the key properties of (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine?
(1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 138751856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).