butan-1-amine;3-ethoxyprop-1-ene

C9H21NO — CID 135353084

IUPACbutan-1-amine;3-ethoxyprop-1-ene
SMILESC=CCOCC.CCCCN
InChIInChI=1S/C5H10O.C4H11N/c1-3-5-6-4-2;1-2-3-4-5/h3H,1,4-5H2,2H3;2-5H2,1H3
InChIKeyYXMLPYIQDSCAHV-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.95
Rot. Bonds5

About butan-1-amine;3-ethoxyprop-1-ene

butan-1-amine;3-ethoxyprop-1-ene (PubChem CID 135353084) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is butan-1-amine;3-ethoxyprop-1-ene.

Molecular Properties

Compound Namebutan-1-amine;3-ethoxyprop-1-ene
PubChem CID135353084
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Namebutan-1-amine;3-ethoxyprop-1-ene
SMILESC=CCOCC.CCCCN
InChIInChI=1S/C5H10O.C4H11N/c1-3-5-6-4-2;1-2-3-4-5/h3H,1,4-5H2,2H3;2-5H2,1H3
InChIKeyYXMLPYIQDSCAHV-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.95
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 butan-1-amine;3-ethoxyprop-1-ene?
The IUPAC name of butan-1-amine;3-ethoxyprop-1-ene (CID 135353084) is butan-1-amine;3-ethoxyprop-1-ene.
What is the SMILES notation for butan-1-amine;3-ethoxyprop-1-ene?
The canonical SMILES for butan-1-amine;3-ethoxyprop-1-ene is C=CCOCC.CCCCN.
What is the InChIKey of butan-1-amine;3-ethoxyprop-1-ene?
The InChIKey is YXMLPYIQDSCAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H11N/c1-3-5-6-4-2;1-2-3-4-5/h3H,1,4-5H2,2H3;2-5H2,1H3.
What are the key properties of butan-1-amine;3-ethoxyprop-1-ene?
butan-1-amine;3-ethoxyprop-1-ene has a molecular weight of 159.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;3-ethoxyprop-1-ene is sourced from PubChem (CID 135353084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).