2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane

C23H44N2 — CID 176698479

IUPAC2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane
SMILESCC.CC(C)(C)CC(C)(C)c1cc(N)cc(C(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C21H38N2.C2H6/c1-18(2,3)13-20(7,8)16-11-15(22)12-17(23-16)21(9,10)14-19(4,5)6;1-2/h11-12H,13-14H2,1-10H3,(H2,22,23);1-2H3
InChIKeyYCBLOALWZJBBGB-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.12
Rot. Bonds4

About 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane

2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane (PubChem CID 176698479) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane.

Molecular Properties

Compound Name2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane
PubChem CID176698479
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane
SMILESCC.CC(C)(C)CC(C)(C)c1cc(N)cc(C(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C21H38N2.C2H6/c1-18(2,3)13-20(7,8)16-11-15(22)12-17(23-16)21(9,10)14-19(4,5)6;1-2/h11-12H,13-14H2,1-10H3,(H2,22,23);1-2H3
InChIKeyYCBLOALWZJBBGB-UHFFFAOYSA-N
XLogP7.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane?
The IUPAC name of 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane (CID 176698479) is 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane.
What is the SMILES notation for 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane?
The canonical SMILES for 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane is CC.CC(C)(C)CC(C)(C)c1cc(N)cc(C(C)(C)CC(C)(C)C)n1.
What is the InChIKey of 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane?
The InChIKey is YCBLOALWZJBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2.C2H6/c1-18(2,3)13-20(7,8)16-11-15(22)12-17(23-16)21(9,10)14-19(4,5)6;1-2/h11-12H,13-14H2,1-10H3,(H2,22,23);1-2H3.
What are the key properties of 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane?
2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane has a molecular weight of 348.62 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,4,4-trimethylpentan-2-yl)pyridin-4-amine;ethane is sourced from PubChem (CID 176698479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).