1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

C12H23NO — CID 115894049

IUPAC1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNC(C)C1(C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)9-14-8-7-13-11(3)12(4)5-6-12/h11,13H,1,5-9H2,2-4H3
InChIKeyZYJARKCEFNMPMH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

About 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (PubChem CID 115894049) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
PubChem CID115894049
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNC(C)C1(C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)9-14-8-7-13-11(3)12(4)5-6-12/h11,13H,1,5-9H2,2-4H3
InChIKeyZYJARKCEFNMPMH-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (CID 115894049) is 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is C=C(C)COCCNC(C)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The InChIKey is ZYJARKCEFNMPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-14-8-7-13-11(3)12(4)5-6-12/h11,13H,1,5-9H2,2-4H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is sourced from PubChem (CID 115894049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).