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

C16H32N2 — CID 55261020

IUPAC4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane
SMILESCCC1CCN(CC2(C)CCCC2)CCC(C)N1
InChIInChI=1S/C16H32N2/c1-4-15-8-12-18(11-7-14(2)17-15)13-16(3)9-5-6-10-16/h14-15,17H,4-13H2,1-3H3
InChIKeySDZQOADDZWCIJO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds3

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

4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane (PubChem CID 55261020) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane.

Molecular Properties

Compound Name4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane
PubChem CID55261020
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane
SMILESCCC1CCN(CC2(C)CCCC2)CCC(C)N1
InChIInChI=1S/C16H32N2/c1-4-15-8-12-18(11-7-14(2)17-15)13-16(3)9-5-6-10-16/h14-15,17H,4-13H2,1-3H3
InChIKeySDZQOADDZWCIJO-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane?
The IUPAC name of 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane (CID 55261020) is 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane.
What is the SMILES notation for 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane?
The canonical SMILES for 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane is CCC1CCN(CC2(C)CCCC2)CCC(C)N1.
What is the InChIKey of 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane?
The InChIKey is SDZQOADDZWCIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-15-8-12-18(11-7-14(2)17-15)13-16(3)9-5-6-10-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane?
4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane is sourced from PubChem (CID 55261020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).