N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine

C8H17NO — CID 142805870

IUPACN-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine
SMILESC/C=C/OCCCNCC
InChIInChI=1S/C8H17NO/c1-3-7-10-8-5-6-9-4-2/h3,7,9H,4-6,8H2,1-2H3/b7-3+
InChIKeyVTISXFUYLFGZLW-XVNBXDOJSA-N
MW143.23 g/mol
LogP1.54
Rot. Bonds6

About N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine

N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine (PubChem CID 142805870) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine
PubChem CID142805870
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine
SMILESC/C=C/OCCCNCC
InChIInChI=1S/C8H17NO/c1-3-7-10-8-5-6-9-4-2/h3,7,9H,4-6,8H2,1-2H3/b7-3+
InChIKeyVTISXFUYLFGZLW-XVNBXDOJSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine?
The IUPAC name of N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine (CID 142805870) is N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine?
The canonical SMILES for N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine is C/C=C/OCCCNCC.
What is the InChIKey of N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine?
The InChIKey is VTISXFUYLFGZLW-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-7-10-8-5-6-9-4-2/h3,7,9H,4-6,8H2,1-2H3/b7-3+.
What are the key properties of N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine?
N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine is sourced from PubChem (CID 142805870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).