(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine

C14H24N2 — CID 89153950

IUPAC(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(/C)N1CC(C)C[C@@H](C)C1
InChIInChI=1S/C14H24N2/c1-5-14(15)7-6-13(4)16-9-11(2)8-12(3)10-16/h5-7,11-12H,1,8-10,15H2,2-4H3/b13-6+,14-7+/t11-,12?/m1/s1
InChIKeyKYIOMTJYODKWPL-UPEPYHHZSA-N
MW220.36 g/mol
LogP2.90
Rot. Bonds3

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

(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine (PubChem CID 89153950) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine
PubChem CID89153950
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(/C)N1CC(C)C[C@@H](C)C1
InChIInChI=1S/C14H24N2/c1-5-14(15)7-6-13(4)16-9-11(2)8-12(3)10-16/h5-7,11-12H,1,8-10,15H2,2-4H3/b13-6+,14-7+/t11-,12?/m1/s1
InChIKeyKYIOMTJYODKWPL-UPEPYHHZSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.90
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]hepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine (CID 89153950) is (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine is C=C/C(N)=C\C=C(/C)N1CC(C)C[C@@H](C)C1.
What is the InChIKey of (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine?
The InChIKey is KYIOMTJYODKWPL-UPEPYHHZSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-14(15)7-6-13(4)16-9-11(2)8-12(3)10-16/h5-7,11-12H,1,8-10,15H2,2-4H3/b13-6+,14-7+/t11-,12?/m1/s1.
What are the key properties of (3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine?
(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.90, 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]hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 89153950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).