3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane

C16H32N2 — CID 63243603

IUPAC3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
SMILESCC1CCC(CN2CCC(C)NCC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-13-4-6-16(7-5-13)12-18-9-8-15(3)17-10-14(2)11-18/h13-17H,4-12H2,1-3H3
InChIKeyASCBJICMNPELIR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds2

About 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane

3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane (PubChem CID 63243603) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane.

Molecular Properties

Compound Name3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
PubChem CID63243603
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
SMILESCC1CCC(CN2CCC(C)NCC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-13-4-6-16(7-5-13)12-18-9-8-15(3)17-10-14(2)11-18/h13-17H,4-12H2,1-3H3
InChIKeyASCBJICMNPELIR-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243515
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
CID 64951574
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
CID 63686847
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131097789
4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415125
(3aR,6aS)-5-[(4-methylcyclohexyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660980
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane?
The IUPAC name of 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane (CID 63243603) is 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane.
What is the SMILES notation for 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane?
The canonical SMILES for 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane is CC1CCC(CN2CCC(C)NCC(C)C2)CC1.
What is the InChIKey of 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane?
The InChIKey is ASCBJICMNPELIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-4-6-16(7-5-13)12-18-9-8-15(3)17-10-14(2)11-18/h13-17H,4-12H2,1-3H3.
What are the key properties of 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane?
3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane has a molecular weight of 252.45 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane is sourced from PubChem (CID 63243603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).