1-(3-butoxy-2-methoxypropyl)-2-methylaziridine

C11H23NO2 — CID 153396392

IUPAC1-(3-butoxy-2-methoxypropyl)-2-methylaziridine
SMILESCCCCOCC(CN1CC1C)OC
InChIInChI=1S/C11H23NO2/c1-4-5-6-14-9-11(13-3)8-12-7-10(12)2/h10-11H,4-9H2,1-3H3
InChIKeyWZXRXFJCUZGFIN-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.52
Rot. Bonds8

About 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine

1-(3-butoxy-2-methoxypropyl)-2-methylaziridine (PubChem CID 153396392) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine.

Molecular Properties

Compound Name1-(3-butoxy-2-methoxypropyl)-2-methylaziridine
PubChem CID153396392
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(3-butoxy-2-methoxypropyl)-2-methylaziridine
SMILESCCCCOCC(CN1CC1C)OC
InChIInChI=1S/C11H23NO2/c1-4-5-6-14-9-11(13-3)8-12-7-10(12)2/h10-11H,4-9H2,1-3H3
InChIKeyWZXRXFJCUZGFIN-UHFFFAOYSA-N
XLogP1.52
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-butoxy-3-(2-methylaziridin-1-yl)propan-2-yl] N-heptylcarbamate
CID 146328207
5-butoxy-4-methoxypentan-2-ol
CID 89084947
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
1-(3-butoxy-2-methoxypropyl)imidazole
CID 163854662
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
[1-butoxy-3-(2-methylaziridin-1-yl)propan-2-yl] N-[2-[3-[2-[[1-(aziridin-1-yl)-3-butoxypropan-2-yl]oxycarbonylamino]propan-2-yl]phenyl]propan-2-yl]carbamate
CID 166810402
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol
CID 107264251
10-(butoxymethyl)henicosane
CID 87840055
1,2-dibutoxyhexane
CID 19805858
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine?
The IUPAC name of 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine (CID 153396392) is 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine.
What is the SMILES notation for 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine?
The canonical SMILES for 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine is CCCCOCC(CN1CC1C)OC.
What is the InChIKey of 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine?
The InChIKey is WZXRXFJCUZGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-14-9-11(13-3)8-12-7-10(12)2/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine?
1-(3-butoxy-2-methoxypropyl)-2-methylaziridine has a molecular weight of 201.31 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-2-methoxypropyl)-2-methylaziridine is sourced from PubChem (CID 153396392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).