(4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine

C14H23N — CID 126536422

IUPAC(4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine
SMILESCC=CC/C=C/C(N)=C(\C=CC)CCC
InChIInChI=1S/C14H23N/c1-4-7-8-9-12-14(15)13(10-5-2)11-6-3/h4-5,7,9-10,12H,6,8,11,15H2,1-3H3/b7-4?,10-5?,12-9+,14-13-
InChIKeyNUHDBKZNCNARPF-ZZKXMLFDSA-N
MW205.34 g/mol
LogP4.10
Rot. Bonds6

About (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine

(4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine (PubChem CID 126536422) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine.

Molecular Properties

Compound Name(4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine
PubChem CID126536422
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine
SMILESCC=CC/C=C/C(N)=C(\C=CC)CCC
InChIInChI=1S/C14H23N/c1-4-7-8-9-12-14(15)13(10-5-2)11-6-3/h4-5,7,9-10,12H,6,8,11,15H2,1-3H3/b7-4?,10-5?,12-9+,14-13-
InChIKeyNUHDBKZNCNARPF-ZZKXMLFDSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.10
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 (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine?
The IUPAC name of (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine (CID 126536422) is (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine.
What is the SMILES notation for (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine?
The canonical SMILES for (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine is CC=CC/C=C/C(N)=C(\C=CC)CCC.
What is the InChIKey of (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine?
The InChIKey is NUHDBKZNCNARPF-ZZKXMLFDSA-N. The full InChI is InChI=1S/C14H23N/c1-4-7-8-9-12-14(15)13(10-5-2)11-6-3/h4-5,7,9-10,12H,6,8,11,15H2,1-3H3/b7-4?,10-5?,12-9+,14-13-.
What are the key properties of (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine?
(4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine has a molecular weight of 205.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-4-propylundeca-2,4,6,9-tetraen-5-amine is sourced from PubChem (CID 126536422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).