(E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine

C9H19NO — CID 107898893

IUPAC(E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine
SMILESC/C=C/CNC(C)COCC
InChIInChI=1S/C9H19NO/c1-4-6-7-10-9(3)8-11-5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+
InChIKeyZLRURCRPWXFOPV-GQCTYLIASA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds6

About (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine

(E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine (PubChem CID 107898893) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine
PubChem CID107898893
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine
SMILESC/C=C/CNC(C)COCC
InChIInChI=1S/C9H19NO/c1-4-6-7-10-9(3)8-11-5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+
InChIKeyZLRURCRPWXFOPV-GQCTYLIASA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
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-(1-ethoxypropan-2-yl)but-2-en-1-amine?
The IUPAC name of (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine (CID 107898893) is (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine?
The canonical SMILES for (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine is C/C=C/CNC(C)COCC.
What is the InChIKey of (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine?
The InChIKey is ZLRURCRPWXFOPV-GQCTYLIASA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-7-10-9(3)8-11-5-2/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine?
(E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethoxypropan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 107898893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).