(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine

C19H27N3O — CID 118429881

IUPAC(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2cc(C)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1
InChIInChI=1S/C19H27N3O/c1-13(2)10-19(5,20)12-23-18-11-22-17(8-14(18)3)16-6-7-21-15(4)9-16/h6-9,11,13H,10,12,20H2,1-5H3/t19-/m0/s1
InChIKeyCIHFEDCEWSFTAE-IBGZPJMESA-N
MW313.44 g/mol
LogP3.90
Rot. Bonds6

About (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine

(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine (PubChem CID 118429881) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine
PubChem CID118429881
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2cc(C)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1
InChIInChI=1S/C19H27N3O/c1-13(2)10-19(5,20)12-23-18-11-22-17(8-14(18)3)16-6-7-21-15(4)9-16/h6-9,11,13H,10,12,20H2,1-5H3/t19-/m0/s1
InChIKeyCIHFEDCEWSFTAE-IBGZPJMESA-N
XLogP3.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine (CID 118429881) is (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine is Cc1cc(-c2cc(C)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1.
What is the InChIKey of (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine?
The InChIKey is CIHFEDCEWSFTAE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O/c1-13(2)10-19(5,20)12-23-18-11-22-17(8-14(18)3)16-6-7-21-15(4)9-16/h6-9,11,13H,10,12,20H2,1-5H3/t19-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine?
(2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine has a molecular weight of 313.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1-[[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine is sourced from PubChem (CID 118429881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).