1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane

C15H30N2 — CID 113476176

IUPAC1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane
SMILESCCC1CCN(CC(C)C2CC2)CC(C)CN1
InChIInChI=1S/C15H30N2/c1-4-15-7-8-17(10-12(2)9-16-15)11-13(3)14-5-6-14/h12-16H,4-11H2,1-3H3
InChIKeyFRSGESSHBGTYQF-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds4

About 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane

1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane (PubChem CID 113476176) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane
PubChem CID113476176
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane
SMILESCCC1CCN(CC(C)C2CC2)CC(C)CN1
InChIInChI=1S/C15H30N2/c1-4-15-7-8-17(10-12(2)9-16-15)11-13(3)14-5-6-14/h12-16H,4-11H2,1-3H3
InChIKeyFRSGESSHBGTYQF-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-methyl-1-(2-phenylpropyl)-1,5-diazocane
CID 104592186
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CID 114401113
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
CID 116679193
1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine
CID 116680465
6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550965
6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane
CID 54973353
1-(2,2-dimethyloxan-4-yl)-6-ethyl-3-methyl-1,5-diazocane
CID 83039835
3-bromo-1-(2-cyclobutylpropyl)pyrrolidine
CID 130804419
(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine
CID 170053035
6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane
CID 54972790
3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine
CID 167534931
1-(2-cycloheptylpropyl)piperazine
CID 82509737

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane?
The IUPAC name of 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane (CID 113476176) is 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane.
What is the SMILES notation for 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane?
The canonical SMILES for 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane is CCC1CCN(CC(C)C2CC2)CC(C)CN1.
What is the InChIKey of 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane?
The InChIKey is FRSGESSHBGTYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-15-7-8-17(10-12(2)9-16-15)11-13(3)14-5-6-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane?
1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane has a molecular weight of 238.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane is sourced from PubChem (CID 113476176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).