(3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine

C15H26N2 — CID 143745708

IUPAC(3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C)NCCN1CCC(CC)CC1
InChIInChI=1S/C15H26N2/c1-4-7-15(6-3)16-10-13-17-11-8-14(5-2)9-12-17/h4,6-7,14,16H,1,3,5,8-13H2,2H3/b15-7+
InChIKeyNCPFDKSHSRBGER-VIZOYTHASA-N
MW234.39 g/mol
LogP2.95
Rot. Bonds7

About (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine

(3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine (PubChem CID 143745708) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine
PubChem CID143745708
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C)NCCN1CCC(CC)CC1
InChIInChI=1S/C15H26N2/c1-4-7-15(6-3)16-10-13-17-11-8-14(5-2)9-12-17/h4,6-7,14,16H,1,3,5,8-13H2,2H3/b15-7+
InChIKeyNCPFDKSHSRBGER-VIZOYTHASA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.95
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)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine (CID 143745708) is (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine is C=C/C=C(\C=C)NCCN1CCC(CC)CC1.
What is the InChIKey of (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine?
The InChIKey is NCPFDKSHSRBGER-VIZOYTHASA-N. The full InChI is InChI=1S/C15H26N2/c1-4-7-15(6-3)16-10-13-17-11-8-14(5-2)9-12-17/h4,6-7,14,16H,1,3,5,8-13H2,2H3/b15-7+.
What are the key properties of (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine?
(3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine has a molecular weight of 234.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[2-(4-ethylpiperidin-1-yl)ethyl]hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143745708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).