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

C12H23NO — CID 143294392

IUPACN-[(E)-but-2-enyl]-N-propyloxan-3-amine
SMILESC/C=C/CN(CCC)C1CCCOC1
InChIInChI=1S/C12H23NO/c1-3-5-9-13(8-4-2)12-7-6-10-14-11-12/h3,5,12H,4,6-11H2,1-2H3/b5-3+
InChIKeyFNZQNHSWJIHKHC-HWKANZROSA-N
MW197.32 g/mol
LogP2.45
Rot. Bonds5

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

N-[(E)-but-2-enyl]-N-propyloxan-3-amine (PubChem CID 143294392) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-propyloxan-3-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-propyloxan-3-amine
PubChem CID143294392
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(E)-but-2-enyl]-N-propyloxan-3-amine
SMILESC/C=C/CN(CCC)C1CCCOC1
InChIInChI=1S/C12H23NO/c1-3-5-9-13(8-4-2)12-7-6-10-14-11-12/h3,5,12H,4,6-11H2,1-2H3/b5-3+
InChIKeyFNZQNHSWJIHKHC-HWKANZROSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(E)-but-2-enyl]-N-propyloxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine
CID 107135005
2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
CID 102676564
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine
CID 107135006
N,N-dipropyloxetan-3-amine
CID 123858327
N-(2-bromoethyl)-N-[(E)-but-2-enyl]cyclohexanamine
CID 107897735
3-[ethyl(oxan-3-yl)amino]propanethioamide
CID 107134685
N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine
CID 66182229
N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
CID 106603663
N-methyl-N-[(Z)-propylideneamino]oxan-3-amine
CID 126558870
N-[(E)-but-2-enyl]-N-methyloxetan-3-amine
CID 144509687
N-(oxolan-3-ylmethyl)-N-propylpiperidin-3-amine
CID 63638803

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N-propyloxan-3-amine?
The IUPAC name of N-[(E)-but-2-enyl]-N-propyloxan-3-amine (CID 143294392) is N-[(E)-but-2-enyl]-N-propyloxan-3-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-propyloxan-3-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-N-propyloxan-3-amine is C/C=C/CN(CCC)C1CCCOC1.
What is the InChIKey of N-[(E)-but-2-enyl]-N-propyloxan-3-amine?
The InChIKey is FNZQNHSWJIHKHC-HWKANZROSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-9-13(8-4-2)12-7-6-10-14-11-12/h3,5,12H,4,6-11H2,1-2H3/b5-3+.
What are the key properties of N-[(E)-but-2-enyl]-N-propyloxan-3-amine?
N-[(E)-but-2-enyl]-N-propyloxan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N-propyloxan-3-amine is sourced from PubChem (CID 143294392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).