1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane

C16H34N2 — CID 107817900

IUPAC1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
SMILESCCCCC(CC)CN1CCC(C)NC(C)CC1
InChIInChI=1S/C16H34N2/c1-5-7-8-16(6-2)13-18-11-9-14(3)17-15(4)10-12-18/h14-17H,5-13H2,1-4H3
InChIKeyFAZPUIQKCQLPBT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

About 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane

1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane (PubChem CID 107817900) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
PubChem CID107817900
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
SMILESCCCCC(CC)CN1CCC(C)NC(C)CC1
InChIInChI=1S/C16H34N2/c1-5-7-8-16(6-2)13-18-11-9-14(3)17-15(4)10-12-18/h14-17H,5-13H2,1-4H3
InChIKeyFAZPUIQKCQLPBT-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
1-(2-ethylhexyl)-3-methyl-1,4-diazepane
CID 64859197
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149
1-(2-ethylhexyl)-4-methylpyrrolidin-3-amine
CID 103576746
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
CID 82701804
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
3-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64833817
N,3-diethyl-1-(2-ethylhexyl)piperidin-4-amine
CID 114507460

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane?
The IUPAC name of 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane (CID 107817900) is 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane?
The canonical SMILES for 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane is CCCCC(CC)CN1CCC(C)NC(C)CC1.
What is the InChIKey of 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane?
The InChIKey is FAZPUIQKCQLPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-8-16(6-2)13-18-11-9-14(3)17-15(4)10-12-18/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane?
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane has a molecular weight of 254.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane is sourced from PubChem (CID 107817900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).