N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C16H21NO — CID 143328433

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)C[C@@H]1COc2ccccc2C1
InChIInChI=1S/C16H21NO/c1-3-9-17(10-4-2)12-14-11-15-7-5-6-8-16(15)18-13-14/h3-8,14H,1-2,9-13H2/t14-/m1/s1
InChIKeyIAEYLHPZERFLQL-CQSZACIVSA-N
MW243.35 g/mol
LogP2.91
Rot. Bonds6

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 143328433) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID143328433
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)C[C@@H]1COc2ccccc2C1
InChIInChI=1S/C16H21NO/c1-3-9-17(10-4-2)12-14-11-15-7-5-6-8-16(15)18-13-14/h3-8,14H,1-2,9-13H2/t14-/m1/s1
InChIKeyIAEYLHPZERFLQL-CQSZACIVSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
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-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 143328433) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)C[C@@H]1COc2ccccc2C1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is IAEYLHPZERFLQL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-9-17(10-4-2)12-14-11-15-7-5-6-8-16(15)18-13-14/h3-8,14H,1-2,9-13H2/t14-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 143328433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).