4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane

C14H28N2 — CID 107415125

IUPAC4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
SMILESCC1CCC(CN2CCCNC(C)CC2)C1
InChIInChI=1S/C14H28N2/c1-12-4-5-14(10-12)11-16-8-3-7-15-13(2)6-9-16/h12-15H,3-11H2,1-2H3
InChIKeyBDCRXRRSALJDRU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds2

About 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane

4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane (PubChem CID 107415125) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane.

Molecular Properties

Compound Name4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
PubChem CID107415125
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
SMILESCC1CCC(CN2CCCNC(C)CC2)C1
InChIInChI=1S/C14H28N2/c1-12-4-5-14(10-12)11-16-8-3-7-15-13(2)6-9-16/h12-15H,3-11H2,1-2H3
InChIKeyBDCRXRRSALJDRU-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
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
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
CID 64951574
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243603
1-[(3-methylcyclobutyl)methyl]piperidine
CID 120999950
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242425
3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131097789
4-methyl-1-(4,4,4-trifluorobutyl)-1,5-diazocane
CID 115521962

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane?
The IUPAC name of 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane (CID 107415125) is 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane.
What is the SMILES notation for 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane?
The canonical SMILES for 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane is CC1CCC(CN2CCCNC(C)CC2)C1.
What is the InChIKey of 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane?
The InChIKey is BDCRXRRSALJDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-4-5-14(10-12)11-16-8-3-7-15-13(2)6-9-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane?
4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane has a molecular weight of 224.39 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane is sourced from PubChem (CID 107415125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).