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

C16H29N3 — CID 107874578

IUPAC2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C16H29N3/c1-12(2)14(11-19(6)7)18-15-9-8-13(10-17-15)16(3,4)5/h8-10,12,14H,11H2,1-7H3,(H,17,18)
InChIKeyXNTCQDGKZZKGOD-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.38
Rot. Bonds5

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

2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 107874578) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID107874578
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C16H29N3/c1-12(2)14(11-19(6)7)18-15-9-8-13(10-17-15)16(3,4)5/h8-10,12,14H,11H2,1-7H3,(H,17,18)
InChIKeyXNTCQDGKZZKGOD-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 107874578) is 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)Nc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is XNTCQDGKZZKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)14(11-19(6)7)18-15-9-8-13(10-17-15)16(3,4)5/h8-10,12,14H,11H2,1-7H3,(H,17,18).
What are the key properties of 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-tert-butyl-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 107874578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).