N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine

C8H15NO — CID 43264170

IUPACN-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
SMILESCCN(CC1CO1)C1CC1
InChIInChI=1S/C8H15NO/c1-2-9(7-3-4-7)5-8-6-10-8/h7-8H,2-6H2,1H3
InChIKeyJXCHXXGVPAEYNK-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.87
Rot. Bonds4

About N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine

N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine (PubChem CID 43264170) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
PubChem CID43264170
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
SMILESCCN(CC1CO1)C1CC1
InChIInChI=1S/C8H15NO/c1-2-9(7-3-4-7)5-8-6-10-8/h7-8H,2-6H2,1H3
InChIKeyJXCHXXGVPAEYNK-UHFFFAOYSA-N
XLogP0.87
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine (CID 43264170) is N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine is CCN(CC1CO1)C1CC1.
What is the InChIKey of N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine?
The InChIKey is JXCHXXGVPAEYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9(7-3-4-7)5-8-6-10-8/h7-8H,2-6H2,1H3.
What are the key properties of N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine?
N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine has a molecular weight of 141.21 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 43264170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).