1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine

C9H18N2O — CID 173036027

IUPAC1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine
SMILESCCC(CC1CO1)N1CCNC1
InChIInChI=1S/C9H18N2O/c1-2-8(5-9-6-12-9)11-4-3-10-7-11/h8-10H,2-7H2,1H3
InChIKeyUNYPQYKRZDAUPG-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds4

About 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine

1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine (PubChem CID 173036027) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine.

Molecular Properties

Compound Name1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine
PubChem CID173036027
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine
SMILESCCC(CC1CO1)N1CCNC1
InChIInChI=1S/C9H18N2O/c1-2-8(5-9-6-12-9)11-4-3-10-7-11/h8-10H,2-7H2,1H3
InChIKeyUNYPQYKRZDAUPG-UHFFFAOYSA-N
XLogP0.42
TPSA27.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-hexan-3-yl]piperazine
CID 94350939
2-imidazolidin-1-ylnonadecan-1-amine
CID 70543181
2-(2-methylbutyl)oxirane
CID 534610
1-(1-piperazin-1-ylpentan-3-yl)piperazine
CID 57104516
9-(1-cyclopropylbutan-2-yl)-6,9-diazaspiro[4.5]decane
CID 64952028
N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide
CID 18183018
fluoromethane;1-(1-methoxybutan-2-yl)piperazine
CID 162038929
2-ethoxy-2-imidazolidin-1-ylethanol
CID 174867587
benzene;1-(oxiran-2-ylmethyl)piperazine
CID 174594870
1-(1-bromopropyl)piperazine
CID 135292234
1-(1-fluoropropyl)piperazine
CID 91569783
1-(3-methylheptan-2-yl)imidazolidine
CID 174705189

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine?
The IUPAC name of 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine (CID 173036027) is 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine.
What is the SMILES notation for 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine?
The canonical SMILES for 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine is CCC(CC1CO1)N1CCNC1.
What is the InChIKey of 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine?
The InChIKey is UNYPQYKRZDAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-8(5-9-6-12-9)11-4-3-10-7-11/h8-10H,2-7H2,1H3.
What are the key properties of 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine?
1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine has a molecular weight of 170.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine is sourced from PubChem (CID 173036027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).