(E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine

C11H23NO — CID 134310350

IUPAC(E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine
SMILESC/C=C/CCN(CCC)CCOC
InChIInChI=1S/C11H23NO/c1-4-6-7-9-12(8-5-2)10-11-13-3/h4,6H,5,7-11H2,1-3H3/b6-4+
InChIKeyNVYXKQNDWIPKDP-GQCTYLIASA-N
MW185.31 g/mol
LogP2.31
Rot. Bonds8

About (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine

(E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine (PubChem CID 134310350) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine
PubChem CID134310350
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine
SMILESC/C=C/CCN(CCC)CCOC
InChIInChI=1S/C11H23NO/c1-4-6-7-9-12(8-5-2)10-11-13-3/h4,6H,5,7-11H2,1-3H3/b6-4+
InChIKeyNVYXKQNDWIPKDP-GQCTYLIASA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine (CID 134310350) is (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine is C/C=C/CCN(CCC)CCOC.
What is the InChIKey of (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine?
The InChIKey is NVYXKQNDWIPKDP-GQCTYLIASA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-7-9-12(8-5-2)10-11-13-3/h4,6H,5,7-11H2,1-3H3/b6-4+.
What are the key properties of (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine?
(E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 134310350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).