1-hexan-2-yl-3,7-dimethyl-1,5-diazocane

C14H30N2 — CID 62200461

IUPAC1-hexan-2-yl-3,7-dimethyl-1,5-diazocane
SMILESCCCCC(C)N1CC(C)CNCC(C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-14(4)16-10-12(2)8-15-9-13(3)11-16/h12-15H,5-11H2,1-4H3
InChIKeyWSCHOTSONVERFO-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds4

About 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane

1-hexan-2-yl-3,7-dimethyl-1,5-diazocane (PubChem CID 62200461) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-hexan-2-yl-3,7-dimethyl-1,5-diazocane
PubChem CID62200461
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-hexan-2-yl-3,7-dimethyl-1,5-diazocane
SMILESCCCCC(C)N1CC(C)CNCC(C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-14(4)16-10-12(2)8-15-9-13(3)11-16/h12-15H,5-11H2,1-4H3
InChIKeyWSCHOTSONVERFO-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-nonan-2-yl-1,3-oxazetidine
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1-(2,2-difluoroethyl)-3,7-dimethyl-1,5-diazocane
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4-[(2S)-hexan-2-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane?
The IUPAC name of 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane (CID 62200461) is 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane?
The canonical SMILES for 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane is CCCCC(C)N1CC(C)CNCC(C)C1.
What is the InChIKey of 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane?
The InChIKey is WSCHOTSONVERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-7-14(4)16-10-12(2)8-15-9-13(3)11-16/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-hexan-2-yl-3,7-dimethyl-1,5-diazocane?
1-hexan-2-yl-3,7-dimethyl-1,5-diazocane has a molecular weight of 226.41 g/mol, XLogP of 2.74, 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-3,7-dimethyl-1,5-diazocane is sourced from PubChem (CID 62200461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).