N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine

C9H17NO2 — CID 114465933

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine
SMILESC=C(C)COCCNC1COC1
InChIInChI=1S/C9H17NO2/c1-8(2)5-11-4-3-10-9-6-12-7-9/h9-10H,1,3-7H2,2H3
InChIKeyOQPIPAVRSBLWRT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.57
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine

N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine (PubChem CID 114465933) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine
PubChem CID114465933
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine
SMILESC=C(C)COCCNC1COC1
InChIInChI=1S/C9H17NO2/c1-8(2)5-11-4-3-10-9-6-12-7-9/h9-10H,1,3-7H2,2H3
InChIKeyOQPIPAVRSBLWRT-UHFFFAOYSA-N
XLogP0.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1,1-dioxothietan-3-amine
CID 135392293
N-[2-(2-methylprop-2-enoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114467588
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
CID 114817951
4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine
CID 114465917
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
CID 103949069
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115894020
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 115699234
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine
CID 115908252
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 102672561

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine (CID 114465933) is N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine is C=C(C)COCCNC1COC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine?
The InChIKey is OQPIPAVRSBLWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-11-4-3-10-9-6-12-7-9/h9-10H,1,3-7H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine has a molecular weight of 171.24 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine is sourced from PubChem (CID 114465933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).