4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane

C18H30N2 — CID 106900686

IUPAC4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane
SMILESCCc1ccc(CN2CCC(C)NC(CC)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-16-6-8-17(9-7-16)14-20-12-10-15(3)19-18(5-2)11-13-20/h6-9,15,18-19H,4-5,10-14H2,1-3H3
InChIKeyPHZZAPZAGGOECW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds4

About 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane

4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane (PubChem CID 106900686) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane.

Molecular Properties

Compound Name4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane
PubChem CID106900686
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane
SMILESCCc1ccc(CN2CCC(C)NC(CC)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-16-6-8-17(9-7-16)14-20-12-10-15(3)19-18(5-2)11-13-20/h6-9,15,18-19H,4-5,10-14H2,1-3H3
InChIKeyPHZZAPZAGGOECW-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 5138395
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
CID 2910705
4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane
CID 55261020
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 807342
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane?
The IUPAC name of 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane (CID 106900686) is 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane.
What is the SMILES notation for 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane?
The canonical SMILES for 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane is CCc1ccc(CN2CCC(C)NC(CC)CC2)cc1.
What is the InChIKey of 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane?
The InChIKey is PHZZAPZAGGOECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-16-6-8-17(9-7-16)14-20-12-10-15(3)19-18(5-2)11-13-20/h6-9,15,18-19H,4-5,10-14H2,1-3H3.
What are the key properties of 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane?
4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane has a molecular weight of 274.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-ethylphenyl)methyl]-6-methyl-1,5-diazocane is sourced from PubChem (CID 106900686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).