1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane

C25H51N3 — CID 129136507

IUPAC1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane
SMILESCC(CCC(C)(C)N1CCCCN1C(C)(C)C)C1(C)CCCCN1C(C)(C)C
InChIInChI=1S/C25H51N3/c1-21(25(10)16-11-12-18-26(25)22(2,3)4)15-17-24(8,9)28-20-14-13-19-27(28)23(5,6)7/h21H,11-20H2,1-10H3
InChIKeyVGIVIWMULRVASW-UHFFFAOYSA-N
MW393.70 g/mol
LogP6.34
Rot. Bonds5

About 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane

1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane (PubChem CID 129136507) has the molecular formula C25H51N3 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane.

Molecular Properties

Compound Name1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane
PubChem CID129136507
Molecular FormulaC25H51N3
Molecular Weight393.70 g/mol
Exact Mass393.41
IUPAC Name1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane
SMILESCC(CCC(C)(C)N1CCCCN1C(C)(C)C)C1(C)CCCCN1C(C)(C)C
InChIInChI=1S/C25H51N3/c1-21(25(10)16-11-12-18-26(25)22(2,3)4)15-17-24(8,9)28-20-14-13-19-27(28)23(5,6)7/h21H,11-20H2,1-10H3
InChIKeyVGIVIWMULRVASW-UHFFFAOYSA-N
XLogP6.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane?
The IUPAC name of 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane (CID 129136507) is 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane.
What is the SMILES notation for 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane?
The canonical SMILES for 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane is CC(CCC(C)(C)N1CCCCN1C(C)(C)C)C1(C)CCCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane?
The InChIKey is VGIVIWMULRVASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N3/c1-21(25(10)16-11-12-18-26(25)22(2,3)4)15-17-24(8,9)28-20-14-13-19-27(28)23(5,6)7/h21H,11-20H2,1-10H3.
What are the key properties of 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane?
1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane has a molecular weight of 393.70 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[5-(1-tert-butyl-2-methylpiperidin-2-yl)-2-methylhexan-2-yl]diazinane is sourced from PubChem (CID 129136507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).