N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine

C44H104N24O6 — CID 161181882

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine
SMILESNCCCCCN.NCCCCCN1CCNC1=O.NCCN.NCCN1CCN(CCN)C1=O.NCCN1CCNC1=O.NCCNCCNCCN.O=C1NCCN1.O=C1NCCN1CCN1CCNC1=O
InChIInChI=1S/C8H14N4O2.C8H17N3O.C7H16N4O.C6H18N4.C5H11N3O.C5H14N2.C3H6N2O.C2H8N2/c13-7-9-1-3-11(7)5-6-12-4-2-10-8(12)14;9-4-2-1-3-6-11-7-5-10-8(11)12;8-1-3-10-5-6-11(4-2-9)7(10)12;7-1-3-9-5-6-10-4-2-8;6-1-3-8-4-2-7-5(8)9;6-4-2-1-3-5-7;6-3-4-1-2-5-3;3-1-2-4/h1-6H2,(H,9,13)(H,10,14);1-7,9H2,(H,10,12);1-6,8-9H2;9-10H,1-8H2;1-4,6H2,(H,7,9);1-7H2;1-2H2,(H2,4,5,6);1-4H2
InChIKeyUSOJVOXGKUTATF-UHFFFAOYSA-N
MW1065.48 g/mol
LogP-6.85
Rot. Bonds26

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine (PubChem CID 161181882) has the molecular formula C44H104N24O6 and a molecular weight of 1065.48 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine
PubChem CID161181882
Molecular FormulaC44H104N24O6
Molecular Weight1065.48 g/mol
Exact Mass1064.86
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine
SMILESNCCCCCN.NCCCCCN1CCNC1=O.NCCN.NCCN1CCN(CCN)C1=O.NCCN1CCNC1=O.NCCNCCNCCN.O=C1NCCN1.O=C1NCCN1CCN1CCNC1=O
InChIInChI=1S/C8H14N4O2.C8H17N3O.C7H16N4O.C6H18N4.C5H11N3O.C5H14N2.C3H6N2O.C2H8N2/c13-7-9-1-3-11(7)5-6-12-4-2-10-8(12)14;9-4-2-1-3-6-11-7-5-10-8(11)12;8-1-3-10-5-6-11(4-2-9)7(10)12;7-1-3-9-5-6-10-4-2-8;6-1-3-8-4-2-7-5(8)9;6-4-2-1-3-5-7;6-3-4-1-2-5-3;3-1-2-4/h1-6H2,(H,9,13)(H,10,14);1-7,9H2,(H,10,12);1-6,8-9H2;9-10H,1-8H2;1-4,6H2,(H,7,9);1-7H2;1-2H2,(H2,4,5,6);1-4H2
InChIKeyUSOJVOXGKUTATF-UHFFFAOYSA-N
XLogP-6.85
TPSA478.30 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.48
LogP ≤ 5-6.85
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine (CID 161181882) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine is NCCCCCN.NCCCCCN1CCNC1=O.NCCN.NCCN1CCN(CCN)C1=O.NCCN1CCNC1=O.NCCNCCNCCN.O=C1NCCN1.O=C1NCCN1CCN1CCNC1=O.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine?
The InChIKey is USOJVOXGKUTATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2.C8H17N3O.C7H16N4O.C6H18N4.C5H11N3O.C5H14N2.C3H6N2O.C2H8N2/c13-7-9-1-3-11(7)5-6-12-4-2-10-8(12)14;9-4-2-1-3-6-11-7-5-10-8(11)12;8-1-3-10-5-6-11(4-2-9)7(10)12;7-1-3-9-5-6-10-4-2-8;6-1-3-8-4-2-7-5(8)9;6-4-2-1-3-5-7;6-3-4-1-2-5-3;3-1-2-4/h1-6H2,(H,9,13)(H,10,14);1-7,9H2,(H,10,12);1-6,8-9H2;9-10H,1-8H2;1-4,6H2,(H,7,9);1-7H2;1-2H2,(H2,4,5,6);1-4H2.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine has a molecular weight of 1065.48 g/mol, XLogP of -6.85, 26 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine is sourced from PubChem (CID 161181882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).