3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine

C14H25N3 — CID 103182015

IUPAC3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine
SMILESCCCN(Cc1ncc(C)c(N)c1C)C(C)C
InChIInChI=1S/C14H25N3/c1-6-7-17(10(2)3)9-13-12(5)14(15)11(4)8-16-13/h8,10H,6-7,9H2,1-5H3,(H2,15,16)
InChIKeyOVWXVQJXYIVFFD-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.90
Rot. Bonds5

About 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine

3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine (PubChem CID 103182015) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine
PubChem CID103182015
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine
SMILESCCCN(Cc1ncc(C)c(N)c1C)C(C)C
InChIInChI=1S/C14H25N3/c1-6-7-17(10(2)3)9-13-12(5)14(15)11(4)8-16-13/h8,10H,6-7,9H2,1-5H3,(H2,15,16)
InChIKeyOVWXVQJXYIVFFD-UHFFFAOYSA-N
XLogP2.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine (CID 103182015) is 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine is CCCN(Cc1ncc(C)c(N)c1C)C(C)C.
What is the InChIKey of 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine?
The InChIKey is OVWXVQJXYIVFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-7-17(10(2)3)9-13-12(5)14(15)11(4)8-16-13/h8,10H,6-7,9H2,1-5H3,(H2,15,16).
What are the key properties of 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine?
3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine has a molecular weight of 235.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[propan-2-yl(propyl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 103182015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).