(E)-3-cyclopropylprop-2-en-1-amine

C6H11N — CID 63970491

IUPAC(E)-3-cyclopropylprop-2-en-1-amine
SMILESNC/C=C/C1CC1
InChIInChI=1S/C6H11N/c7-5-1-2-6-3-4-6/h1-2,6H,3-5,7H2/b2-1+
InChIKeyFGNSIKJDDXLWCL-OWOJBTEDSA-N
MW97.16 g/mol
LogP0.91
Rot. Bonds2

About (E)-3-cyclopropylprop-2-en-1-amine

(E)-3-cyclopropylprop-2-en-1-amine (PubChem CID 63970491) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (E)-3-cyclopropylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-cyclopropylprop-2-en-1-amine
PubChem CID63970491
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(E)-3-cyclopropylprop-2-en-1-amine
SMILESNC/C=C/C1CC1
InChIInChI=1S/C6H11N/c7-5-1-2-6-3-4-6/h1-2,6H,3-5,7H2/b2-1+
InChIKeyFGNSIKJDDXLWCL-OWOJBTEDSA-N
XLogP0.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
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 (E)-3-cyclopropylprop-2-en-1-amine?
The IUPAC name of (E)-3-cyclopropylprop-2-en-1-amine (CID 63970491) is (E)-3-cyclopropylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-cyclopropylprop-2-en-1-amine?
The canonical SMILES for (E)-3-cyclopropylprop-2-en-1-amine is NC/C=C/C1CC1.
What is the InChIKey of (E)-3-cyclopropylprop-2-en-1-amine?
The InChIKey is FGNSIKJDDXLWCL-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H11N/c7-5-1-2-6-3-4-6/h1-2,6H,3-5,7H2/b2-1+.
What are the key properties of (E)-3-cyclopropylprop-2-en-1-amine?
(E)-3-cyclopropylprop-2-en-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropylprop-2-en-1-amine is sourced from PubChem (CID 63970491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).