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

C14H28N2 — CID 107415122

IUPAC3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
SMILESCC1CCC(CN2CCCNCC(C)C2)C1
InChIInChI=1S/C14H28N2/c1-12-4-5-14(8-12)11-16-7-3-6-15-9-13(2)10-16/h12-15H,3-11H2,1-2H3
InChIKeyMMGVLHXVRCOJQG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds2

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

3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane (PubChem CID 107415122) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane.

Molecular Properties

Compound Name3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
PubChem CID107415122
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
SMILESCC1CCC(CN2CCCNCC(C)C2)C1
InChIInChI=1S/C14H28N2/c1-12-4-5-14(8-12)11-16-7-3-6-15-9-13(2)10-16/h12-15H,3-11H2,1-2H3
InChIKeyMMGVLHXVRCOJQG-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-3-methyl-1,5,9-triazacyclododecane
CID 175833983
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415125
3-[(3-methylpiperidin-1-yl)methyl]azepane
CID 112546585
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
CID 64951574
3-methyl-1-(3-propoxypropyl)-1,5-diazocane
CID 82947242
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
CID 107420452
3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane?
The IUPAC name of 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane (CID 107415122) is 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane.
What is the SMILES notation for 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane?
The canonical SMILES for 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane is CC1CCC(CN2CCCNCC(C)C2)C1.
What is the InChIKey of 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane?
The InChIKey is MMGVLHXVRCOJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-4-5-14(8-12)11-16-7-3-6-15-9-13(2)10-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane?
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane has a molecular weight of 224.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane is sourced from PubChem (CID 107415122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).