(3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine

C11H18N2 — CID 89154018

IUPAC(3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C\N1CCCCC1
InChIInChI=1S/C11H18N2/c1-2-11(12)7-6-10-13-8-4-3-5-9-13/h2,6-7,10H,1,3-5,8-9,12H2/b10-6+,11-7+
InChIKeyYHOHASMTLOXYTC-JMQWPVDRSA-N
MW178.28 g/mol
LogP2.01
Rot. Bonds3

About (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine

(3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine (PubChem CID 89154018) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine
PubChem CID89154018
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C\N1CCCCC1
InChIInChI=1S/C11H18N2/c1-2-11(12)7-6-10-13-8-4-3-5-9-13/h2,6-7,10H,1,3-5,8-9,12H2/b10-6+,11-7+
InChIKeyYHOHASMTLOXYTC-JMQWPVDRSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine (CID 89154018) is (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine is C=C/C(N)=C\C=C\N1CCCCC1.
What is the InChIKey of (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine?
The InChIKey is YHOHASMTLOXYTC-JMQWPVDRSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-11(12)7-6-10-13-8-4-3-5-9-13/h2,6-7,10H,1,3-5,8-9,12H2/b10-6+,11-7+.
What are the key properties of (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine?
(3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 89154018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).