N-[(E)-but-2-enyl]oxan-3-amine

C9H17NO — CID 107898975

IUPACN-[(E)-but-2-enyl]oxan-3-amine
SMILESC/C=C/CNC1CCCOC1
InChIInChI=1S/C9H17NO/c1-2-3-6-10-9-5-4-7-11-8-9/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyDLNCYFNZYXTZES-NSCUHMNNSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About N-[(E)-but-2-enyl]oxan-3-amine

N-[(E)-but-2-enyl]oxan-3-amine (PubChem CID 107898975) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]oxan-3-amine
PubChem CID107898975
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(E)-but-2-enyl]oxan-3-amine
SMILESC/C=C/CNC1CCCOC1
InChIInChI=1S/C9H17NO/c1-2-3-6-10-9-5-4-7-11-8-9/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyDLNCYFNZYXTZES-NSCUHMNNSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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 N-[(E)-but-2-enyl]oxan-3-amine?
The IUPAC name of N-[(E)-but-2-enyl]oxan-3-amine (CID 107898975) is N-[(E)-but-2-enyl]oxan-3-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]oxan-3-amine?
The canonical SMILES for N-[(E)-but-2-enyl]oxan-3-amine is C/C=C/CNC1CCCOC1.
What is the InChIKey of N-[(E)-but-2-enyl]oxan-3-amine?
The InChIKey is DLNCYFNZYXTZES-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-6-10-9-5-4-7-11-8-9/h2-3,9-10H,4-8H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]oxan-3-amine?
N-[(E)-but-2-enyl]oxan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]oxan-3-amine is sourced from PubChem (CID 107898975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).