3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine

C14H20N2O — CID 105491692

IUPAC3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine
SMILESNc1cccc2c1CC(CN1CCCC1)CO2
InChIInChI=1S/C14H20N2O/c15-13-4-3-5-14-12(13)8-11(10-17-14)9-16-6-1-2-7-16/h3-5,11H,1-2,6-10,15H2
InChIKeyCUBMXVZNGXSFGK-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.92
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine

3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine (PubChem CID 105491692) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine
PubChem CID105491692
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine
SMILESNc1cccc2c1CC(CN1CCCC1)CO2
InChIInChI=1S/C14H20N2O/c15-13-4-3-5-14-12(13)8-11(10-17-14)9-16-6-1-2-7-16/h3-5,11H,1-2,6-10,15H2
InChIKeyCUBMXVZNGXSFGK-UHFFFAOYSA-N
XLogP1.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine (CID 105491692) is 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine is Nc1cccc2c1CC(CN1CCCC1)CO2.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine?
The InChIKey is CUBMXVZNGXSFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13-4-3-5-14-12(13)8-11(10-17-14)9-16-6-1-2-7-16/h3-5,11H,1-2,6-10,15H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine?
3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine has a molecular weight of 232.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine is sourced from PubChem (CID 105491692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).