2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine

C17H27N3 — CID 103182604

IUPAC2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(CN2CC=C(C(C)(C)C)CC2)c(C)c1N
InChIInChI=1S/C17H27N3/c1-12-10-19-15(13(2)16(12)18)11-20-8-6-14(7-9-20)17(3,4)5/h6,10H,7-9,11H2,1-5H3,(H2,18,19)
InChIKeySEUPVXTYVUJSQC-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.46
Rot. Bonds2

About 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine

2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103182604) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine
PubChem CID103182604
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(CN2CC=C(C(C)(C)C)CC2)c(C)c1N
InChIInChI=1S/C17H27N3/c1-12-10-19-15(13(2)16(12)18)11-20-8-6-14(7-9-20)17(3,4)5/h6,10H,7-9,11H2,1-5H3,(H2,18,19)
InChIKeySEUPVXTYVUJSQC-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine (CID 103182604) is 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine is Cc1cnc(CN2CC=C(C(C)(C)C)CC2)c(C)c1N.
What is the InChIKey of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is SEUPVXTYVUJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12-10-19-15(13(2)16(12)18)11-20-8-6-14(7-9-20)17(3,4)5/h6,10H,7-9,11H2,1-5H3,(H2,18,19).
What are the key properties of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine?
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103182604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).