1-hexan-2-yl-1,5-diazocane

C12H26N2 — CID 62200653

IUPAC1-hexan-2-yl-1,5-diazocane
SMILESCCCCC(C)N1CCCNCCC1
InChIInChI=1S/C12H26N2/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-14/h12-13H,3-11H2,1-2H3
InChIKeyUTEYNNSOOMBEEB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds4

About 1-hexan-2-yl-1,5-diazocane

1-hexan-2-yl-1,5-diazocane (PubChem CID 62200653) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-hexan-2-yl-1,5-diazocane.

Molecular Properties

Compound Name1-hexan-2-yl-1,5-diazocane
PubChem CID62200653
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-hexan-2-yl-1,5-diazocane
SMILESCCCCC(C)N1CCCNCCC1
InChIInChI=1S/C12H26N2/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-14/h12-13H,3-11H2,1-2H3
InChIKeyUTEYNNSOOMBEEB-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-1,5-diazocane?
The IUPAC name of 1-hexan-2-yl-1,5-diazocane (CID 62200653) is 1-hexan-2-yl-1,5-diazocane.
What is the SMILES notation for 1-hexan-2-yl-1,5-diazocane?
The canonical SMILES for 1-hexan-2-yl-1,5-diazocane is CCCCC(C)N1CCCNCCC1.
What is the InChIKey of 1-hexan-2-yl-1,5-diazocane?
The InChIKey is UTEYNNSOOMBEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-4-7-12(2)14-10-5-8-13-9-6-11-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-hexan-2-yl-1,5-diazocane?
1-hexan-2-yl-1,5-diazocane has a molecular weight of 198.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-1,5-diazocane is sourced from PubChem (CID 62200653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).