N-ethyl-N-prop-2-enylcyclopropanamine

C8H15N — CID 130733810

IUPACN-ethyl-N-prop-2-enylcyclopropanamine
SMILESC=CCN(CC)C1CC1
InChIInChI=1S/C8H15N/c1-3-7-9(4-2)8-5-6-8/h3,8H,1,4-7H2,2H3
InChIKeyGYEOBALPVDTZAD-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds4

About N-ethyl-N-prop-2-enylcyclopropanamine

N-ethyl-N-prop-2-enylcyclopropanamine (PubChem CID 130733810) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-ethyl-N-prop-2-enylcyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-prop-2-enylcyclopropanamine
PubChem CID130733810
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-ethyl-N-prop-2-enylcyclopropanamine
SMILESC=CCN(CC)C1CC1
InChIInChI=1S/C8H15N/c1-3-7-9(4-2)8-5-6-8/h3,8H,1,4-7H2,2H3
InChIKeyGYEOBALPVDTZAD-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-enylcyclopropanamine?
The IUPAC name of N-ethyl-N-prop-2-enylcyclopropanamine (CID 130733810) is N-ethyl-N-prop-2-enylcyclopropanamine.
What is the SMILES notation for N-ethyl-N-prop-2-enylcyclopropanamine?
The canonical SMILES for N-ethyl-N-prop-2-enylcyclopropanamine is C=CCN(CC)C1CC1.
What is the InChIKey of N-ethyl-N-prop-2-enylcyclopropanamine?
The InChIKey is GYEOBALPVDTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-7-9(4-2)8-5-6-8/h3,8H,1,4-7H2,2H3.
What are the key properties of N-ethyl-N-prop-2-enylcyclopropanamine?
N-ethyl-N-prop-2-enylcyclopropanamine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-enylcyclopropanamine is sourced from PubChem (CID 130733810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).