N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine

C18H30N2O — CID 142459371

IUPACN-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine
SMILESC=C/C=C(\C=C)CC1(N2CCC(CNCC)CC2)COC1
InChIInChI=1S/C18H30N2O/c1-4-7-16(5-2)12-18(14-21-15-18)20-10-8-17(9-11-20)13-19-6-3/h4-5,7,17,19H,1-2,6,8-15H2,3H3/b16-7+
InChIKeyQYKGXELTZZXBKH-FRKPEAEDSA-N
MW290.45 g/mol
LogP2.77
Rot. Bonds8

About N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine

N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine (PubChem CID 142459371) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine
PubChem CID142459371
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine
SMILESC=C/C=C(\C=C)CC1(N2CCC(CNCC)CC2)COC1
InChIInChI=1S/C18H30N2O/c1-4-7-16(5-2)12-18(14-21-15-18)20-10-8-17(9-11-20)13-19-6-3/h4-5,7,17,19H,1-2,6,8-15H2,3H3/b16-7+
InChIKeyQYKGXELTZZXBKH-FRKPEAEDSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine with MolForge

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Launch Full Analysis

Related Compounds

ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
CID 145472451
4-[(2E,5Z)-4-methylidenehepta-2,5-dien-2-yl]-1-(3-methyloxetan-3-yl)piperidine
CID 168180970
2-Ethyl-2,4-dimethylpiperidine;7-propan-2-yl-2-oxa-5-azaspiro[3.5]nona-6,8-diene
CID 171833488
(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
CID 145472452

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine (CID 142459371) is N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine is C=C/C=C(\C=C)CC1(N2CCC(CNCC)CC2)COC1.
What is the InChIKey of N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is QYKGXELTZZXBKH-FRKPEAEDSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-7-16(5-2)12-18(14-21-15-18)20-10-8-17(9-11-20)13-19-6-3/h4-5,7,17,19H,1-2,6,8-15H2,3H3/b16-7+.
What are the key properties of N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 142459371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).