N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine

C12H20N2 — CID 103462384

IUPACN-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
SMILESCCC(C)(C)CNc1ccncc1C
InChIInChI=1S/C12H20N2/c1-5-12(3,4)9-14-11-6-7-13-8-10(11)2/h6-8H,5,9H2,1-4H3,(H,13,14)
InChIKeyOMQOBLOLDGEMLD-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.24
Rot. Bonds4

About N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine

N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine (PubChem CID 103462384) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
PubChem CID103462384
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
SMILESCCC(C)(C)CNc1ccncc1C
InChIInChI=1S/C12H20N2/c1-5-12(3,4)9-14-11-6-7-13-8-10(11)2/h6-8H,5,9H2,1-4H3,(H,13,14)
InChIKeyOMQOBLOLDGEMLD-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine (CID 103462384) is N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine is CCC(C)(C)CNc1ccncc1C.
What is the InChIKey of N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine?
The InChIKey is OMQOBLOLDGEMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-12(3,4)9-14-11-6-7-13-8-10(11)2/h6-8H,5,9H2,1-4H3,(H,13,14).
What are the key properties of N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine?
N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine has a molecular weight of 192.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine is sourced from PubChem (CID 103462384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).