(3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine

C14H24N2 — CID 88582926

IUPAC(3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine
SMILESC=C/C(C)=C(\C=C)NC(C)C1CCNCC1
InChIInChI=1S/C14H24N2/c1-5-11(3)14(6-2)16-12(4)13-7-9-15-10-8-13/h5-6,12-13,15-16H,1-2,7-10H2,3-4H3/b14-11+
InChIKeyJYJFQDZCVZTNNI-SDNWHVSQSA-N
MW220.36 g/mol
LogP2.61
Rot. Bonds5

About (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine

(3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine (PubChem CID 88582926) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine
PubChem CID88582926
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine
SMILESC=C/C(C)=C(\C=C)NC(C)C1CCNCC1
InChIInChI=1S/C14H24N2/c1-5-11(3)14(6-2)16-12(4)13-7-9-15-10-8-13/h5-6,12-13,15-16H,1-2,7-10H2,3-4H3/b14-11+
InChIKeyJYJFQDZCVZTNNI-SDNWHVSQSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
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)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine (CID 88582926) is (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine is C=C/C(C)=C(\C=C)NC(C)C1CCNCC1.
What is the InChIKey of (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine?
The InChIKey is JYJFQDZCVZTNNI-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-11(3)14(6-2)16-12(4)13-7-9-15-10-8-13/h5-6,12-13,15-16H,1-2,7-10H2,3-4H3/b14-11+.
What are the key properties of (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine?
(3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methyl-N-(1-piperidin-4-ylethyl)hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 88582926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).