N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine

C16H26N6 — CID 46094563

IUPACN,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCN(CC)c1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C16H26N6/c1-4-20(5-2)10-11-21(6-3)15-13-8-7-9-14(13)19-16-17-12-18-22(15)16/h12H,4-11H2,1-3H3
InChIKeyLDCDJQUQXTZKSQ-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.78
Rot. Bonds7

About N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine

N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine (PubChem CID 46094563) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine
PubChem CID46094563
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCN(CC)c1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C16H26N6/c1-4-20(5-2)10-11-21(6-3)15-13-8-7-9-14(13)19-16-17-12-18-22(15)16/h12H,4-11H2,1-3H3
InChIKeyLDCDJQUQXTZKSQ-UHFFFAOYSA-N
XLogP1.78
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine (CID 46094563) is N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine is CCN(CC)CCN(CC)c1c2c(nc3ncnn13)CCC2.
What is the InChIKey of N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine?
The InChIKey is LDCDJQUQXTZKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-4-20(5-2)10-11-21(6-3)15-13-8-7-9-14(13)19-16-17-12-18-22(15)16/h12H,4-11H2,1-3H3.
What are the key properties of N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine?
N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine has a molecular weight of 302.43 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 46094563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).