2-[2-(2-aminoethylamino)ethylamino]ethylurea

C7H19N5O — CID 175595434

IUPAC2-[2-(2-aminoethylamino)ethylamino]ethylurea
SMILESNCCNCCNCCNC(N)=O
InChIInChI=1S/C7H19N5O/c8-1-2-10-3-4-11-5-6-12-7(9)13/h10-11H,1-6,8H2,(H3,9,12,13)
InChIKeyKCMLOHFGRCXJPJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP-2.21
Rot. Bonds8

About 2-[2-(2-aminoethylamino)ethylamino]ethylurea

2-[2-(2-aminoethylamino)ethylamino]ethylurea (PubChem CID 175595434) has the molecular formula C7H19N5O and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[2-(2-aminoethylamino)ethylamino]ethylurea.

Molecular Properties

Compound Name2-[2-(2-aminoethylamino)ethylamino]ethylurea
PubChem CID175595434
Molecular FormulaC7H19N5O
Molecular Weight189.26 g/mol
Exact Mass189.16
IUPAC Name2-[2-(2-aminoethylamino)ethylamino]ethylurea
SMILESNCCNCCNCCNC(N)=O
InChIInChI=1S/C7H19N5O/c8-1-2-10-3-4-11-5-6-12-7(9)13/h10-11H,1-6,8H2,(H3,9,12,13)
InChIKeyKCMLOHFGRCXJPJ-UHFFFAOYSA-N
XLogP-2.21
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
CID 100925313
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
2-(6-hydroxyhexylamino)ethylurea
CID 107703572
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
2-(4-methylsulfanylbutylamino)ethylurea
CID 103088336

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethylamino)ethylamino]ethylurea?
The IUPAC name of 2-[2-(2-aminoethylamino)ethylamino]ethylurea (CID 175595434) is 2-[2-(2-aminoethylamino)ethylamino]ethylurea.
What is the SMILES notation for 2-[2-(2-aminoethylamino)ethylamino]ethylurea?
The canonical SMILES for 2-[2-(2-aminoethylamino)ethylamino]ethylurea is NCCNCCNCCNC(N)=O.
What is the InChIKey of 2-[2-(2-aminoethylamino)ethylamino]ethylurea?
The InChIKey is KCMLOHFGRCXJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N5O/c8-1-2-10-3-4-11-5-6-12-7(9)13/h10-11H,1-6,8H2,(H3,9,12,13).
What are the key properties of 2-[2-(2-aminoethylamino)ethylamino]ethylurea?
2-[2-(2-aminoethylamino)ethylamino]ethylurea has a molecular weight of 189.26 g/mol, XLogP of -2.21, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylamino)ethylamino]ethylurea is sourced from PubChem (CID 175595434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).