N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine

C14H22N6 — CID 12671248

IUPACN,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine
SMILESCCN(CC)CCN1CCc2c(C)nc3ncnn3c21
InChIInChI=1S/C14H22N6/c1-4-18(5-2)8-9-19-7-6-12-11(3)17-14-15-10-16-20(14)13(12)19/h10H,4-9H2,1-3H3
InChIKeyPIGUZIAMUVGPKR-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.14
Rot. Bonds5

About N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine

N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine (PubChem CID 12671248) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine
PubChem CID12671248
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine
SMILESCCN(CC)CCN1CCc2c(C)nc3ncnn3c21
InChIInChI=1S/C14H22N6/c1-4-18(5-2)8-9-19-7-6-12-11(3)17-14-15-10-16-20(14)13(12)19/h10H,4-9H2,1-3H3
InChIKeyPIGUZIAMUVGPKR-UHFFFAOYSA-N
XLogP1.14
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine (CID 12671248) is N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine is CCN(CC)CCN1CCc2c(C)nc3ncnn3c21.
What is the InChIKey of N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine?
The InChIKey is PIGUZIAMUVGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-18(5-2)8-9-19-7-6-12-11(3)17-14-15-10-16-20(14)13(12)19/h10H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine?
N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine has a molecular weight of 274.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanamine is sourced from PubChem (CID 12671248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).