1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane

C15H30N2 — CID 64743687

IUPAC1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
SMILESCC1CCN(C2CCC(C)C(C)C2)CCCN1
InChIInChI=1S/C15H30N2/c1-12-5-6-15(11-13(12)2)17-9-4-8-16-14(3)7-10-17/h12-16H,4-11H2,1-3H3
InChIKeyMTZFDQXSDQTHRL-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane

1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane (PubChem CID 64743687) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
PubChem CID64743687
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
SMILESCC1CCN(C2CCC(C)C(C)C2)CCCN1
InChIInChI=1S/C15H30N2/c1-12-5-6-15(11-13(12)2)17-9-4-8-16-14(3)7-10-17/h12-16H,4-11H2,1-3H3
InChIKeyMTZFDQXSDQTHRL-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane (CID 64743687) is 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane is CC1CCN(C2CCC(C)C(C)C2)CCCN1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane?
The InChIKey is MTZFDQXSDQTHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12-5-6-15(11-13(12)2)17-9-4-8-16-14(3)7-10-17/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane?
1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane has a molecular weight of 238.42 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane is sourced from PubChem (CID 64743687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).