4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C19H28N4O — CID 95149124

IUPAC4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1cc(C)c2c(c1)[C@H](NCc1c(C)nn(C)c1N(C)C)CCO2
InChIInChI=1S/C19H28N4O/c1-12-9-13(2)18-15(10-12)17(7-8-24-18)20-11-16-14(3)21-23(6)19(16)22(4)5/h9-10,17,20H,7-8,11H2,1-6H3/t17-/m1/s1
InChIKeyBXZYCSSZOHFLML-QGZVFWFLSA-N
MW328.46 g/mol
LogP3.02
Rot. Bonds4

About 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 95149124) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID95149124
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1cc(C)c2c(c1)[C@H](NCc1c(C)nn(C)c1N(C)C)CCO2
InChIInChI=1S/C19H28N4O/c1-12-9-13(2)18-15(10-12)17(7-8-24-18)20-11-16-14(3)21-23(6)19(16)22(4)5/h9-10,17,20H,7-8,11H2,1-6H3/t17-/m1/s1
InChIKeyBXZYCSSZOHFLML-QGZVFWFLSA-N
XLogP3.02
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 95149124) is 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1cc(C)c2c(c1)[C@H](NCc1c(C)nn(C)c1N(C)C)CCO2.
What is the InChIKey of 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is BXZYCSSZOHFLML-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O/c1-12-9-13(2)18-15(10-12)17(7-8-24-18)20-11-16-14(3)21-23(6)19(16)22(4)5/h9-10,17,20H,7-8,11H2,1-6H3/t17-/m1/s1.
What are the key properties of 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 328.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 95149124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).