N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

C15H23NO — CID 10105405

IUPACN,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13-7-5-6-8-15(13)17-12-14/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyAFJZCPCUPUMAIA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.11
Rot. Bonds5

About N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 10105405) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID10105405
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13-7-5-6-8-15(13)17-12-14/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyAFJZCPCUPUMAIA-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 10105405) is N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)C1COc2ccccc2C1.
What is the InChIKey of N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is AFJZCPCUPUMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13-7-5-6-8-15(13)17-12-14/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 10105405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).