4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine

C15H25N3 — CID 114011527

IUPAC4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCC(C)(C)c1ccc(NC2CCC(N)CC2)nc1
InChIInChI=1S/C15H25N3/c1-15(2,3)11-4-9-14(17-10-11)18-13-7-5-12(16)6-8-13/h4,9-10,12-13H,5-8,16H2,1-3H3,(H,17,18)
InChIKeyPLBBIUQNDXQFSY-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.06
Rot. Bonds2

About 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine

4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 114011527) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID114011527
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCC(C)(C)c1ccc(NC2CCC(N)CC2)nc1
InChIInChI=1S/C15H25N3/c1-15(2,3)11-4-9-14(17-10-11)18-13-7-5-12(16)6-8-13/h4,9-10,12-13H,5-8,16H2,1-3H3,(H,17,18)
InChIKeyPLBBIUQNDXQFSY-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine (CID 114011527) is 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine is CC(C)(C)c1ccc(NC2CCC(N)CC2)nc1.
What is the InChIKey of 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is PLBBIUQNDXQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)11-4-9-14(17-10-11)18-13-7-5-12(16)6-8-13/h4,9-10,12-13H,5-8,16H2,1-3H3,(H,17,18).
What are the key properties of 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine?
4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114011527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).