(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine

C14H25N3 — CID 89034875

IUPAC(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCC(CCNC)CC1
InChIInChI=1S/C14H25N3/c1-3-4-14(5-9-15)17-11-7-13(8-12-17)6-10-16-2/h3-5,9,13,16H,1,6-8,10-12,15H2,2H3/b9-5-,14-4+
InChIKeyRQILBFNFXSIREF-BANWFZCWSA-N
MW235.38 g/mol
LogP1.85
Rot. Bonds6

About (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine

(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine (PubChem CID 89034875) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine
PubChem CID89034875
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCC(CCNC)CC1
InChIInChI=1S/C14H25N3/c1-3-4-14(5-9-15)17-11-7-13(8-12-17)6-10-16-2/h3-5,9,13,16H,1,6-8,10-12,15H2,2H3/b9-5-,14-4+
InChIKeyRQILBFNFXSIREF-BANWFZCWSA-N
XLogP1.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine (CID 89034875) is (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)N1CCC(CCNC)CC1.
What is the InChIKey of (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine?
The InChIKey is RQILBFNFXSIREF-BANWFZCWSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-4-14(5-9-15)17-11-7-13(8-12-17)6-10-16-2/h3-5,9,13,16H,1,6-8,10-12,15H2,2H3/b9-5-,14-4+.
What are the key properties of (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine has a molecular weight of 235.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89034875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).