(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine

C14H24N2O — CID 145286374

IUPAC(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1
InChIInChI=1S/C14H24N2O/c1-10(2)7-14(5,15)9-17-13-12(4)6-11(3)8-16-13/h6,8,10H,7,9,15H2,1-5H3/t14-/m0/s1
InChIKeyHHBAOOJRZLTQDT-AWEZNQCLSA-N
MW236.36 g/mol
LogP2.84
Rot. Bonds5

About (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine (PubChem CID 145286374) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
PubChem CID145286374
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1
InChIInChI=1S/C14H24N2O/c1-10(2)7-14(5,15)9-17-13-12(4)6-11(3)8-16-13/h6,8,10H,7,9,15H2,1-5H3/t14-/m0/s1
InChIKeyHHBAOOJRZLTQDT-AWEZNQCLSA-N
XLogP2.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine (CID 145286374) is (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine is Cc1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1.
What is the InChIKey of (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is HHBAOOJRZLTQDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)7-14(5,15)9-17-13-12(4)6-11(3)8-16-13/h6,8,10H,7,9,15H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 145286374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).