2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid

C61H97N11O11 — CID 158819069

IUPAC2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCOCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOCCNC(=O)c1cccnc1.NCCOCCN.NCCOCCNC(=O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C32H45N3O3.C10H15N3O2.C9H20N2O3.C6H5NO2.C4H12N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(36)34-25-27-38-28-26-35-32(37)30-22-21-24-33-29-30;11-3-6-15-7-5-13-10(14)9-2-1-4-12-8-9;1-9(2,3)14-8(12)11-5-7-13-6-4-10;8-6(9)5-2-1-3-7-4-5;5-1-3-7-4-2-6/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24,29H,2,5,8,11,14,17,20,23,25-28H2,1H3,(H,34,36)(H,35,37);1-2,4,8H,3,5-7,11H2,(H,13,14);4-7,10H2,1-3H3,(H,11,12);1-4H,(H,8,9);1-6H2/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;;;;
InChIKeyIVQCVOGFIOATIV-CKSVZCJWSA-N
MW1160.51 g/mol
LogP6.40
Rot. Bonds37

About 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid

2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid (PubChem CID 158819069) has the molecular formula C61H97N11O11 and a molecular weight of 1160.51 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
PubChem CID158819069
Molecular FormulaC61H97N11O11
Molecular Weight1160.51 g/mol
Exact Mass1159.74
IUPAC Name2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCOCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOCCNC(=O)c1cccnc1.NCCOCCN.NCCOCCNC(=O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C32H45N3O3.C10H15N3O2.C9H20N2O3.C6H5NO2.C4H12N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(36)34-25-27-38-28-26-35-32(37)30-22-21-24-33-29-30;11-3-6-15-7-5-13-10(14)9-2-1-4-12-8-9;1-9(2,3)14-8(12)11-5-7-13-6-4-10;8-6(9)5-2-1-3-7-4-5;5-1-3-7-4-2-6/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24,29H,2,5,8,11,14,17,20,23,25-28H2,1H3,(H,34,36)(H,35,37);1-2,4,8H,3,5-7,11H2,(H,13,14);4-7,10H2,1-3H3,(H,11,12);1-4H,(H,8,9);1-6H2/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;;;;
InChIKeyIVQCVOGFIOATIV-CKSVZCJWSA-N
XLogP6.40
TPSA342.60 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds37
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001160.51
LogP ≤ 56.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid (CID 158819069) is 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid is CC(C)(C)OC(=O)NCCOCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOCCNC(=O)c1cccnc1.NCCOCCN.NCCOCCNC(=O)c1cccnc1.O=C(O)c1cccnc1.
What is the InChIKey of 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The InChIKey is IVQCVOGFIOATIV-CKSVZCJWSA-N. The full InChI is InChI=1S/C32H45N3O3.C10H15N3O2.C9H20N2O3.C6H5NO2.C4H12N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31(36)34-25-27-38-28-26-35-32(37)30-22-21-24-33-29-30;11-3-6-15-7-5-13-10(14)9-2-1-4-12-8-9;1-9(2,3)14-8(12)11-5-7-13-6-4-10;8-6(9)5-2-1-3-7-4-5;5-1-3-7-4-2-6/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24,29H,2,5,8,11,14,17,20,23,25-28H2,1H3,(H,34,36)(H,35,37);1-2,4,8H,3,5-7,11H2,(H,13,14);4-7,10H2,1-3H3,(H,11,12);1-4H,(H,8,9);1-6H2/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;;;;.
What are the key properties of 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid?
2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid has a molecular weight of 1160.51 g/mol, XLogP of 6.40, 37 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide;tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate;N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide;pyridine-3-carboxylic acid is sourced from PubChem (CID 158819069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).