N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine

C12H23NO2 — CID 103074455

IUPACN-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCOC(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)15-7-6-14-9-11(3)8-13-12-4-5-12/h10,12-13H,3-9H2,1-2H3
InChIKeyWQBXUFDPSMEMKK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds9

About N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074455) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074455
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCOC(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)15-7-6-14-9-11(3)8-13-12-4-5-12/h10,12-13H,3-9H2,1-2H3
InChIKeyWQBXUFDPSMEMKK-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
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-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074887
N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074316
N-[2-(methoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074357
N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074364
2-(ethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074365
2-(2-ethoxyethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074370
N-[2-(2-ethoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074371
2-(2-ethoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074372
N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074373
2-(2-ethoxyethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074374
N-[2-(3-methylbutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074383
N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
CID 103074415

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074455) is N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCCOC(C)C.
What is the InChIKey of N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is WQBXUFDPSMEMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)15-7-6-14-9-11(3)8-13-12-4-5-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yloxyethoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).