5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine

C14H25N3O — CID 80635092

IUPAC5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine
SMILESCOCC(C)N(C)c1ncc(CC(C)N)cc1C
InChIInChI=1S/C14H25N3O/c1-10-6-13(7-11(2)15)8-16-14(10)17(4)12(3)9-18-5/h6,8,11-12H,7,9,15H2,1-5H3
InChIKeyRLKYXFJQTSLVTF-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.75
Rot. Bonds6

About 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine

5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine (PubChem CID 80635092) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine
PubChem CID80635092
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine
SMILESCOCC(C)N(C)c1ncc(CC(C)N)cc1C
InChIInChI=1S/C14H25N3O/c1-10-6-13(7-11(2)15)8-16-14(10)17(4)12(3)9-18-5/h6,8,11-12H,7,9,15H2,1-5H3
InChIKeyRLKYXFJQTSLVTF-UHFFFAOYSA-N
XLogP1.75
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine (CID 80635092) is 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine is COCC(C)N(C)c1ncc(CC(C)N)cc1C.
What is the InChIKey of 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine?
The InChIKey is RLKYXFJQTSLVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-6-13(7-11(2)15)8-16-14(10)17(4)12(3)9-18-5/h6,8,11-12H,7,9,15H2,1-5H3.
What are the key properties of 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine?
5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80635092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).