(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

C12H21NO — CID 79341132

IUPAC(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESC/C(=C\C1CCC=CO1)CNC(C)C
InChIInChI=1S/C12H21NO/c1-10(2)13-9-11(3)8-12-6-4-5-7-14-12/h5,7-8,10,12-13H,4,6,9H2,1-3H3/b11-8+
InChIKeyJYTJLGADYBPLPB-DHZHZOJOSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds4

About (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79341132) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID79341132
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESC/C(=C\C1CCC=CO1)CNC(C)C
InChIInChI=1S/C12H21NO/c1-10(2)13-9-11(3)8-12-6-4-5-7-14-12/h5,7-8,10,12-13H,4,6,9H2,1-3H3/b11-8+
InChIKeyJYTJLGADYBPLPB-DHZHZOJOSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (CID 79341132) is (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is C/C(=C\C1CCC=CO1)CNC(C)C.
What is the InChIKey of (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is JYTJLGADYBPLPB-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)13-9-11(3)8-12-6-4-5-7-14-12/h5,7-8,10,12-13H,4,6,9H2,1-3H3/b11-8+.
What are the key properties of (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79341132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).