N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine

C14H25BrN2 — CID 121422780

IUPACN-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine
SMILESCC/C(=C\C=C\Br)CCN(C)C1CCNCC1
InChIInChI=1S/C14H25BrN2/c1-3-13(5-4-9-15)8-12-17(2)14-6-10-16-11-7-14/h4-5,9,14,16H,3,6-8,10-12H2,1-2H3/b9-4+,13-5+
InChIKeyCXVNPBRPGGDZHA-XNOVGRFCSA-N
MW301.27 g/mol
LogP3.31
Rot. Bonds6

About N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine

N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine (PubChem CID 121422780) has the molecular formula C14H25BrN2 and a molecular weight of 301.27 g/mol. Its IUPAC name is N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine
PubChem CID121422780
Molecular FormulaC14H25BrN2
Molecular Weight301.27 g/mol
Exact Mass300.12
IUPAC NameN-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine
SMILESCC/C(=C\C=C\Br)CCN(C)C1CCNCC1
InChIInChI=1S/C14H25BrN2/c1-3-13(5-4-9-15)8-12-17(2)14-6-10-16-11-7-14/h4-5,9,14,16H,3,6-8,10-12H2,1-2H3/b9-4+,13-5+
InChIKeyCXVNPBRPGGDZHA-XNOVGRFCSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.31
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 N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine (CID 121422780) is N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine is CC/C(=C\C=C\Br)CCN(C)C1CCNCC1.
What is the InChIKey of N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine?
The InChIKey is CXVNPBRPGGDZHA-XNOVGRFCSA-N. The full InChI is InChI=1S/C14H25BrN2/c1-3-13(5-4-9-15)8-12-17(2)14-6-10-16-11-7-14/h4-5,9,14,16H,3,6-8,10-12H2,1-2H3/b9-4+,13-5+.
What are the key properties of N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine?
N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine has a molecular weight of 301.27 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 121422780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).