1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine

C19H36N4 — CID 163861541

IUPAC1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine
SMILESC=CN1CCN(CCCCCCCCN2CCN(C(=C)C)C2)C1
InChIInChI=1S/C19H36N4/c1-4-20-13-14-21(17-20)11-9-7-5-6-8-10-12-22-15-16-23(18-22)19(2)3/h4H,1-2,5-18H2,3H3
InChIKeyPCYPDRJJWOUWLH-UHFFFAOYSA-N
MW320.53 g/mol
LogP3.15
Rot. Bonds11

About 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine

1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine (PubChem CID 163861541) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine.

Molecular Properties

Compound Name1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine
PubChem CID163861541
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Name1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine
SMILESC=CN1CCN(CCCCCCCCN2CCN(C(=C)C)C2)C1
InChIInChI=1S/C19H36N4/c1-4-20-13-14-21(17-20)11-9-7-5-6-8-10-12-22-15-16-23(18-22)19(2)3/h4H,1-2,5-18H2,3H3
InChIKeyPCYPDRJJWOUWLH-UHFFFAOYSA-N
XLogP3.15
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 58598842
3-(3-ethenylimidazolidin-1-yl)propyl-triethoxysilane
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1-(4-methylpent-4-enyl)aziridine
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tert-butyl 2-[4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-prop-1-en-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 59865517
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
6-(4-acetyl-1,4-diazepan-1-yl)hexan-2-one
CID 55003112
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
4-octylpiperazine-1-carboxylic acid
CID 22047855
1-[4-[3-[4-(2,3-dimethylbut-2-enoyl)piperazin-1-yl]propyl]piperazin-1-yl]-2,3-dimethylbut-2-en-1-one
CID 54035488
4-nonylpiperazine-1-carboxamide
CID 13213299
1-ethenyl-4-(4-methyl-3-propan-2-ylpentyl)piperazine
CID 142315747

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine?
The IUPAC name of 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine (CID 163861541) is 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine.
What is the SMILES notation for 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine?
The canonical SMILES for 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine is C=CN1CCN(CCCCCCCCN2CCN(C(=C)C)C2)C1.
What is the InChIKey of 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine?
The InChIKey is PCYPDRJJWOUWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4/c1-4-20-13-14-21(17-20)11-9-7-5-6-8-10-12-22-15-16-23(18-22)19(2)3/h4H,1-2,5-18H2,3H3.
What are the key properties of 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine?
1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine has a molecular weight of 320.53 g/mol, XLogP of 3.15, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[8-(3-prop-1-en-2-ylimidazolidin-1-yl)octyl]imidazolidine is sourced from PubChem (CID 163861541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).