5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine

C17H26N2O — CID 82626173

IUPAC5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine
SMILESCc1c(C(C)C)ccc2c1C(N1CCCC1)C(N)CO2
InChIInChI=1S/C17H26N2O/c1-11(2)13-6-7-15-16(12(13)3)17(14(18)10-20-15)19-8-4-5-9-19/h6-7,11,14,17H,4-5,8-10,18H2,1-3H3
InChIKeyOONJLNKKSGHGPW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.98
Rot. Bonds2

About 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine

5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 82626173) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine
PubChem CID82626173
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine
SMILESCc1c(C(C)C)ccc2c1C(N1CCCC1)C(N)CO2
InChIInChI=1S/C17H26N2O/c1-11(2)13-6-7-15-16(12(13)3)17(14(18)10-20-15)19-8-4-5-9-19/h6-7,11,14,17H,4-5,8-10,18H2,1-3H3
InChIKeyOONJLNKKSGHGPW-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine (CID 82626173) is 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine is Cc1c(C(C)C)ccc2c1C(N1CCCC1)C(N)CO2.
What is the InChIKey of 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is OONJLNKKSGHGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)13-6-7-15-16(12(13)3)17(14(18)10-20-15)19-8-4-5-9-19/h6-7,11,14,17H,4-5,8-10,18H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine?
5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 82626173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).