1,3-diethyl-1,3,5,7-tetrazocane

C8H20N4 — CID 146939924

IUPAC1,3-diethyl-1,3,5,7-tetrazocane
SMILESCCN1CNCNCN(CC)C1
InChIInChI=1S/C8H20N4/c1-3-11-6-9-5-10-7-12(4-2)8-11/h9-10H,3-8H2,1-2H3
InChIKeyAGRBACLYBFDISX-UHFFFAOYSA-N
MW172.28 g/mol
LogP-0.35
Rot. Bonds2

About 1,3-diethyl-1,3,5,7-tetrazocane

1,3-diethyl-1,3,5,7-tetrazocane (PubChem CID 146939924) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 1,3-diethyl-1,3,5,7-tetrazocane.

Molecular Properties

Compound Name1,3-diethyl-1,3,5,7-tetrazocane
PubChem CID146939924
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name1,3-diethyl-1,3,5,7-tetrazocane
SMILESCCN1CNCNCN(CC)C1
InChIInChI=1S/C8H20N4/c1-3-11-6-9-5-10-7-12(4-2)8-11/h9-10H,3-8H2,1-2H3
InChIKeyAGRBACLYBFDISX-UHFFFAOYSA-N
XLogP-0.35
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[[1-(dimethylamino)ethylamino]methyl]-1-N',1-N'-dimethylethane-1,1-diamine
CID 18935183
2-(3,5,7-Trimethyl-1,3,5,7-tetrazocan-1-yl)ethanamine
CID 58212220
1-Ethyl-3,5,7-trimethyl-1,3,5,7-tetrazocane
CID 58212237
N'-[[[ethyl(methyl)amino]methyl-methylamino]methyl]-N,N'-dimethylmethanediamine
CID 58800151
1,3,5,7-Tetraethyl-1,3,5,7-tetrazocane
CID 59664619
N'-[[[ethyl(methyl)amino]methylamino]methyl]methanediamine
CID 118617371
N'-[[ethyl(methylaminomethyl)amino]methyl]-N'-methylmethanediamine
CID 121308563
N'-[[ethyl-[[ethyl(methyl)amino]methyl]amino]methyl]-N'-methylmethanediamine
CID 156688411
N,N-dimethylethanamine;methanamine;N,N',N'-trimethylmethanediamine
CID 160551517
1-Ethyl-1,3,5,7-tetrazocane
CID 164125592
ethane;N'-ethyl-N,N'-dimethylmethanediamine
CID 176693737
2,4,6,8-Tetramethyl-1,3,5,7-tetrazocane
CID 129930132

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,3,5,7-tetrazocane?
The IUPAC name of 1,3-diethyl-1,3,5,7-tetrazocane (CID 146939924) is 1,3-diethyl-1,3,5,7-tetrazocane.
What is the SMILES notation for 1,3-diethyl-1,3,5,7-tetrazocane?
The canonical SMILES for 1,3-diethyl-1,3,5,7-tetrazocane is CCN1CNCNCN(CC)C1.
What is the InChIKey of 1,3-diethyl-1,3,5,7-tetrazocane?
The InChIKey is AGRBACLYBFDISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4/c1-3-11-6-9-5-10-7-12(4-2)8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-diethyl-1,3,5,7-tetrazocane?
1,3-diethyl-1,3,5,7-tetrazocane has a molecular weight of 172.28 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,3,5,7-tetrazocane is sourced from PubChem (CID 146939924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).