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

C15H30N2 — CID 63243515

IUPAC4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
SMILESCC1CCC(CN2CCCNC(C)CC2)CC1
InChIInChI=1S/C15H30N2/c1-13-4-6-15(7-5-13)12-17-10-3-9-16-14(2)8-11-17/h13-16H,3-12H2,1-2H3
InChIKeySUNCJKNMDLTTEH-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds2

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

4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane (PubChem CID 63243515) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane.

Molecular Properties

Compound Name4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
PubChem CID63243515
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
SMILESCC1CCC(CN2CCCNC(C)CC2)CC1
InChIInChI=1S/C15H30N2/c1-13-4-6-15(7-5-13)12-17-10-3-9-16-14(2)8-11-17/h13-16H,3-12H2,1-2H3
InChIKeySUNCJKNMDLTTEH-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415125
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
CID 64951574
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243603
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242425
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane?
The IUPAC name of 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane (CID 63243515) is 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane.
What is the SMILES notation for 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane?
The canonical SMILES for 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane is CC1CCC(CN2CCCNC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane?
The InChIKey is SUNCJKNMDLTTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13-4-6-15(7-5-13)12-17-10-3-9-16-14(2)8-11-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane?
4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane has a molecular weight of 238.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane is sourced from PubChem (CID 63243515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).