N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine

C13H22N2 — CID 138536706

IUPACN-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine
SMILESCCc1cccc(CN(CC)C(C)C)n1
InChIInChI=1S/C13H22N2/c1-5-12-8-7-9-13(14-12)10-15(6-2)11(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyZOLUVBZPRNPEQJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.87
Rot. Bonds5

About N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine

N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine (PubChem CID 138536706) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine
PubChem CID138536706
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine
SMILESCCc1cccc(CN(CC)C(C)C)n1
InChIInChI=1S/C13H22N2/c1-5-12-8-7-9-13(14-12)10-15(6-2)11(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyZOLUVBZPRNPEQJ-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine (CID 138536706) is N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine is CCc1cccc(CN(CC)C(C)C)n1.
What is the InChIKey of N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is ZOLUVBZPRNPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-12-8-7-9-13(14-12)10-15(6-2)11(3)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine?
N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 138536706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).