1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide

C15H24N6O3 — CID 23569595

IUPAC1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
SMILESNCCNC(=O)c1cc(C(=O)NCCN)cc(C(=O)NCCN)c1
InChIInChI=1S/C15H24N6O3/c16-1-4-19-13(22)10-7-11(14(23)20-5-2-17)9-12(8-10)15(24)21-6-3-18/h7-9H,1-6,16-18H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyXIZBOOGJWNVPFD-UHFFFAOYSA-N
MW336.40 g/mol
LogP-2.25
Rot. Bonds9

About 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide (PubChem CID 23569595) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
PubChem CID23569595
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
SMILESNCCNC(=O)c1cc(C(=O)NCCN)cc(C(=O)NCCN)c1
InChIInChI=1S/C15H24N6O3/c16-1-4-19-13(22)10-7-11(14(23)20-5-2-17)9-12(8-10)15(24)21-6-3-18/h7-9H,1-6,16-18H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyXIZBOOGJWNVPFD-UHFFFAOYSA-N
XLogP-2.25
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 5-2.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide
CID 163216327
N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
CID 119384158
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
N-(2-aminoethyl)-3-(2-aminoethynyl)-5-methylbenzamide
CID 155330317
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
N-(2-aminoethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 172844439

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide (CID 23569595) is 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide is NCCNC(=O)c1cc(C(=O)NCCN)cc(C(=O)NCCN)c1.
What is the InChIKey of 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide?
The InChIKey is XIZBOOGJWNVPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c16-1-4-19-13(22)10-7-11(14(23)20-5-2-17)9-12(8-10)15(24)21-6-3-18/h7-9H,1-6,16-18H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide has a molecular weight of 336.40 g/mol, XLogP of -2.25, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 23569595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).