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

C14H25N3 — CID 107875701

IUPAC4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
SMILESCC(N)CC(C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H25N3/c1-10(15)8-11(2)17-13-7-6-12(9-16-13)14(3,4)5/h6-7,9-11H,8,15H2,1-5H3,(H,16,17)
InChIKeyHJYHUKCBQAEFDJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.92
Rot. Bonds4

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

4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine (PubChem CID 107875701) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
PubChem CID107875701
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
SMILESCC(N)CC(C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H25N3/c1-10(15)8-11(2)17-13-7-6-12(9-16-13)14(3,4)5/h6-7,9-11H,8,15H2,1-5H3,(H,16,17)
InChIKeyHJYHUKCBQAEFDJ-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.92
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)pentane-2,4-diamine?
The IUPAC name of 4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine (CID 107875701) is 4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine.
What is the SMILES notation for 4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine?
The canonical SMILES for 4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine is CC(N)CC(C)Nc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine?
The InChIKey is HJYHUKCBQAEFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(15)8-11(2)17-13-7-6-12(9-16-13)14(3,4)5/h6-7,9-11H,8,15H2,1-5H3,(H,16,17).
What are the key properties of 4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine?
4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine has a molecular weight of 235.37 g/mol, XLogP of 2.92, 4 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)pentane-2,4-diamine is sourced from PubChem (CID 107875701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).