3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane

C16H32N2 — CID 114101785

IUPAC3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane
SMILESCC1CCCC(N2CC(C)CNCC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-13-5-4-6-16(8-7-13)18-11-14(2)9-17-10-15(3)12-18/h13-17H,4-12H2,1-3H3
InChIKeyLYQRDFDGPWBACZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds1

About 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane

3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane (PubChem CID 114101785) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane.

Molecular Properties

Compound Name3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane
PubChem CID114101785
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane
SMILESCC1CCCC(N2CC(C)CNCC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-13-5-4-6-16(8-7-13)18-11-14(2)9-17-10-15(3)12-18/h13-17H,4-12H2,1-3H3
InChIKeyLYQRDFDGPWBACZ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,7-dimethyl-1,5-diazocan-1-yl)thiane 1,1-dioxide
CID 63924763
1-cyclodecyl-3-methylazetidine
CID 155016918
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560129
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
4-[(1S,4S)-4-methylcycloheptyl]morpholine
CID 143263488
3-methyl-1-azabicyclo[4.1.0]heptane
CID 154552720
(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
CID 166077594
5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213126
3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968293
(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
CID 145118485
3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
CID 114102096

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane?
The IUPAC name of 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane (CID 114101785) is 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane.
What is the SMILES notation for 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane?
The canonical SMILES for 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane is CC1CCCC(N2CC(C)CNCC(C)C2)CC1.
What is the InChIKey of 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane?
The InChIKey is LYQRDFDGPWBACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-5-4-6-16(8-7-13)18-11-14(2)9-17-10-15(3)12-18/h13-17H,4-12H2,1-3H3.
What are the key properties of 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane?
3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane has a molecular weight of 252.45 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane is sourced from PubChem (CID 114101785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).