8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C17H26N2O — CID 82188074

IUPAC8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1cccc2c1OCC(CN1CCCC1)C2N
InChIInChI=1S/C17H26N2O/c1-12(2)14-6-5-7-15-16(18)13(11-20-17(14)15)10-19-8-3-4-9-19/h5-7,12-13,16H,3-4,8-11,18H2,1-2H3
InChIKeyMTQPPTPPOPSPPL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds3

About 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188074) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188074
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1cccc2c1OCC(CN1CCCC1)C2N
InChIInChI=1S/C17H26N2O/c1-12(2)14-6-5-7-15-16(18)13(11-20-17(14)15)10-19-8-3-4-9-19/h5-7,12-13,16H,3-4,8-11,18H2,1-2H3
InChIKeyMTQPPTPPOPSPPL-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82188074) is 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)c1cccc2c1OCC(CN1CCCC1)C2N.
What is the InChIKey of 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MTQPPTPPOPSPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)14-6-5-7-15-16(18)13(11-20-17(14)15)10-19-8-3-4-9-19/h5-7,12-13,16H,3-4,8-11,18H2,1-2H3.
What are the key properties of 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).