N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine

C16H26N2O — CID 142910607

IUPACN-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine
SMILESC=C/C=C(\C=C)CC1(N(CC)C2CCNCC2)CO1
InChIInChI=1S/C16H26N2O/c1-4-7-14(5-2)12-16(13-19-16)18(6-3)15-8-10-17-11-9-15/h4-5,7,15,17H,1-2,6,8-13H2,3H3/b14-7+
InChIKeyGNFXYGIQKAMEAJ-VGOFMYFVSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds7

About N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine

N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine (PubChem CID 142910607) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine
PubChem CID142910607
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine
SMILESC=C/C=C(\C=C)CC1(N(CC)C2CCNCC2)CO1
InChIInChI=1S/C16H26N2O/c1-4-7-14(5-2)12-16(13-19-16)18(6-3)15-8-10-17-11-9-15/h4-5,7,15,17H,1-2,6,8-13H2,3H3/b14-7+
InChIKeyGNFXYGIQKAMEAJ-VGOFMYFVSA-N
XLogP2.48
TPSA27.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-2-ethenylpenta-2,4-dienyl] N-methyl-N-piperidin-4-ylcarbamate
CID 143271982
N-cyclopropyl-N-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpiperidin-4-amine;ethane;dihydrate
CID 142909233
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine
CID 143457350
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
N-ethyl-N-piperidin-4-ylpent-4-enamide
CID 62679497
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456
(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine
CID 162737186
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61403575
[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate
CID 142539752
(2E)-N-(1-piperidin-4-ylethenyl)penta-2,4-dien-2-amine
CID 142139228

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine?
The IUPAC name of N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine (CID 142910607) is N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine?
The canonical SMILES for N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine is C=C/C=C(\C=C)CC1(N(CC)C2CCNCC2)CO1.
What is the InChIKey of N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine?
The InChIKey is GNFXYGIQKAMEAJ-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-7-14(5-2)12-16(13-19-16)18(6-3)15-8-10-17-11-9-15/h4-5,7,15,17H,1-2,6,8-13H2,3H3/b14-7+.
What are the key properties of N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine?
N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine is sourced from PubChem (CID 142910607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).