(E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine

C10H19NO — CID 82837592

IUPAC(E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C=C/C1CCCO1
InChIInChI=1S/C10H19NO/c1-2-7-11-8-3-5-10-6-4-9-12-10/h3,5,10-11H,2,4,6-9H2,1H3/b5-3+
InChIKeyATEIPCYSSGAOCF-HWKANZROSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine

(E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 82837592) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
PubChem CID82837592
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C=C/C1CCCO1
InChIInChI=1S/C10H19NO/c1-2-7-11-8-3-5-10-6-4-9-12-10/h3,5,10-11H,2,4,6-9H2,1H3/b5-3+
InChIKeyATEIPCYSSGAOCF-HWKANZROSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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 (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine (CID 82837592) is (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine is CCCNC/C=C/C1CCCO1.
What is the InChIKey of (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is ATEIPCYSSGAOCF-HWKANZROSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-7-11-8-3-5-10-6-4-9-12-10/h3,5,10-11H,2,4,6-9H2,1H3/b5-3+.
What are the key properties of (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
(E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 82837592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).