4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine

C11H20N2 — CID 129191316

IUPAC4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine
SMILESCN(C)C1=NC=CC(C(C)(C)C)C1
InChIInChI=1S/C11H20N2/c1-11(2,3)9-6-7-12-10(8-9)13(4)5/h6-7,9H,8H2,1-5H3
InChIKeyLLJXAYLVCYGOEF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.53
Rot. Bonds

About 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine

4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine (PubChem CID 129191316) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine
PubChem CID129191316
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine
SMILESCN(C)C1=NC=CC(C(C)(C)C)C1
InChIInChI=1S/C11H20N2/c1-11(2,3)9-6-7-12-10(8-9)13(4)5/h6-7,9H,8H2,1-5H3
InChIKeyLLJXAYLVCYGOEF-UHFFFAOYSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine?
The IUPAC name of 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine (CID 129191316) is 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine is CN(C)C1=NC=CC(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine?
The InChIKey is LLJXAYLVCYGOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2,3)9-6-7-12-10(8-9)13(4)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine?
4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 129191316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).