3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine

C8H18N3+ — CID 162418957

IUPAC3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine
SMILESC=CN1CC[NH+](CCCN)C1
InChIInChI=1S/C8H17N3/c1-2-10-6-7-11(8-10)5-3-4-9/h2H,1,3-9H2/p+1
InChIKeyDOIZFYIYHOXUAY-UHFFFAOYSA-O
MW156.25 g/mol
LogP-1.36
Rot. Bonds4

About 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine

3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine (PubChem CID 162418957) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine
PubChem CID162418957
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC Name3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine
SMILESC=CN1CC[NH+](CCCN)C1
InChIInChI=1S/C8H17N3/c1-2-10-6-7-11(8-10)5-3-4-9/h2H,1,3-9H2/p+1
InChIKeyDOIZFYIYHOXUAY-UHFFFAOYSA-O
XLogP-1.36
TPSA33.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethenylimidazolidine
CID 6850839
N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
CID 19358898
1-Ethenyl-2-methylimidazolidine
CID 20372723
1-Ethenyl-2-ethylimidazolidine
CID 53779755
1-Ethenyl-2-propylimidazolidine
CID 53847391
1-Ethenyl-2-propan-2-ylimidazolidine
CID 54560333
N,N,2-trimethyl-3-(2-methylideneimidazolidin-1-yl)propan-1-amine
CID 57779925
2-Imidazolidin-1-ylethenamine
CID 66735382
3-(2,3-dimethyl-2H-imidazol-1-yl)propan-1-amine
CID 85821198
(1S)-1-N'-(2-aminoethyl)-3-N'-(1,2,3,4-tetrahydropyrazin-2-yl)propane-1,1,3,3-tetramine
CID 89952012
1-N-ethenyl-2-N-methyl-1-N'-pyrrolidin-2-ylethane-1,1,2-triamine
CID 89952044
2-Methylidene-1-propylimidazolidine
CID 126516131

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine?
The IUPAC name of 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine (CID 162418957) is 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine?
The canonical SMILES for 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine is C=CN1CC[NH+](CCCN)C1.
What is the InChIKey of 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine?
The InChIKey is DOIZFYIYHOXUAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N3/c1-2-10-6-7-11(8-10)5-3-4-9/h2H,1,3-9H2/p+1.
What are the key properties of 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine?
3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine has a molecular weight of 156.25 g/mol, XLogP of -1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylimidazolidin-1-ium-1-yl)propan-1-amine is sourced from PubChem (CID 162418957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).