(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine

C13H24N2 — CID 89074019

IUPAC(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine
SMILESCC/C(N)=C\C=C\N1CC(C)C[C@@H](C)C1
InChIInChI=1S/C13H24N2/c1-4-13(14)6-5-7-15-9-11(2)8-12(3)10-15/h5-7,11-12H,4,8-10,14H2,1-3H3/b7-5+,13-6+/t11-,12?/m1/s1
InChIKeyHQGSPYZZVLJZEB-SMGKADTKSA-N
MW208.35 g/mol
LogP2.73
Rot. Bonds3

About (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine

(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine (PubChem CID 89074019) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine
PubChem CID89074019
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine
SMILESCC/C(N)=C\C=C\N1CC(C)C[C@@H](C)C1
InChIInChI=1S/C13H24N2/c1-4-13(14)6-5-7-15-9-11(2)8-12(3)10-15/h5-7,11-12H,4,8-10,14H2,1-3H3/b7-5+,13-6+/t11-,12?/m1/s1
InChIKeyHQGSPYZZVLJZEB-SMGKADTKSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.73
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-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine (CID 89074019) is (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine is CC/C(N)=C\C=C\N1CC(C)C[C@@H](C)C1.
What is the InChIKey of (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine?
The InChIKey is HQGSPYZZVLJZEB-SMGKADTKSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-13(14)6-5-7-15-9-11(2)8-12(3)10-15/h5-7,11-12H,4,8-10,14H2,1-3H3/b7-5+,13-6+/t11-,12?/m1/s1.
What are the key properties of (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine?
(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hexa-3,5-dien-3-amine is sourced from PubChem (CID 89074019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).