1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine

C15H25N3 — CID 114011750

IUPAC1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine
SMILESCC(C)(C)c1ccc(NC2CC(N)C2(C)C)nc1
InChIInChI=1S/C15H25N3/c1-14(2,3)10-6-7-13(17-9-10)18-12-8-11(16)15(12,4)5/h6-7,9,11-12H,8,16H2,1-5H3,(H,17,18)
InChIKeyAAZSUBKGMMCHOD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.92
Rot. Bonds2

About 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine

1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine (PubChem CID 114011750) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine
PubChem CID114011750
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine
SMILESCC(C)(C)c1ccc(NC2CC(N)C2(C)C)nc1
InChIInChI=1S/C15H25N3/c1-14(2,3)10-6-7-13(17-9-10)18-12-8-11(16)15(12,4)5/h6-7,9,11-12H,8,16H2,1-5H3,(H,17,18)
InChIKeyAAZSUBKGMMCHOD-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine (CID 114011750) is 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine is CC(C)(C)c1ccc(NC2CC(N)C2(C)C)nc1.
What is the InChIKey of 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine?
The InChIKey is AAZSUBKGMMCHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2,3)10-6-7-13(17-9-10)18-12-8-11(16)15(12,4)5/h6-7,9,11-12H,8,16H2,1-5H3,(H,17,18).
What are the key properties of 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine?
1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylcyclobutane-1,3-diamine is sourced from PubChem (CID 114011750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).