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

C19H27N3O — CID 118429839

IUPAC(2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1
InChIInChI=1S/C19H27N3O/c1-13(2)11-19(5,20)12-23-18-7-6-17(22-15(18)4)16-8-9-21-14(3)10-16/h6-10,13H,11-12,20H2,1-5H3/t19-/m0/s1
InChIKeyRBECKKYUEBWTKW-IBGZPJMESA-N
MW313.44 g/mol
LogP3.90
Rot. Bonds6

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

(2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine (PubChem CID 118429839) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine
PubChem CID118429839
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1
InChIInChI=1S/C19H27N3O/c1-13(2)11-19(5,20)12-23-18-7-6-17(22-15(18)4)16-8-9-21-14(3)10-16/h6-10,13H,11-12,20H2,1-5H3/t19-/m0/s1
InChIKeyRBECKKYUEBWTKW-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

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

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Related Compounds

Pilavapadin
CID 118419773
Aqw-051
CID 50914822
[3H]methoxy-PEPy
CID 10910934
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CID 56951495
5-[(2S)-2-aminopropoxy]-2-chloro-3-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10062782
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
6-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}isoquinoline
CID 23644685
6-{5-[(2S)-2-amino-3-cyclohexylpropoxy]pyridin-3-yl}isoquinoline
CID 23647001
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
(R)-4-(5-(Pyrrolidin-3-ylmethoxy)-2-(p-tolyl)pyridin-3-yl)benzonitrile
CID 72793898

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine (CID 118429839) is (2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine is Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)n2)ccn1.
What is the InChIKey of (2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine?
The InChIKey is RBECKKYUEBWTKW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O/c1-13(2)11-19(5,20)12-23-18-7-6-17(22-15(18)4)16-8-9-21-14(3)10-16/h6-10,13H,11-12,20H2,1-5H3/t19-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine?
(2S)-2,4-dimethyl-1-[[2-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-[[2-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]pentan-2-amine is sourced from PubChem (CID 118429839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).