N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide

C7H18N4O — CID 121459092

IUPACN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
SMILESNCCNCCNCCNC=O
InChIInChI=1S/C7H18N4O/c8-1-2-9-3-4-10-5-6-11-7-12/h7,9-10H,1-6,8H2,(H,11,12)
InChIKeyPBDJNDYAVZBQAK-UHFFFAOYSA-N
MW174.25 g/mol
LogP-2.13
Rot. Bonds9

About N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide

N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide (PubChem CID 121459092) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
PubChem CID121459092
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
SMILESNCCNCCNCCNC=O
InChIInChI=1S/C7H18N4O/c8-1-2-9-3-4-10-5-6-11-7-12/h7,9-10H,1-6,8H2,(H,11,12)
InChIKeyPBDJNDYAVZBQAK-UHFFFAOYSA-N
XLogP-2.13
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-2.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401
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
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N-[2-[2-(propylamino)ethylamino]ethyl]formamide
CID 150221110
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N-(2-hydrazinylethyl)formamide
CID 89116528
N-butylformamide;N'-methylethane-1,2-diamine
CID 142935984
N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
CID 15001042
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide
CID 176987350

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide?
The IUPAC name of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide (CID 121459092) is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide?
The canonical SMILES for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide is NCCNCCNCCNC=O.
What is the InChIKey of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide?
The InChIKey is PBDJNDYAVZBQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c8-1-2-9-3-4-10-5-6-11-7-12/h7,9-10H,1-6,8H2,(H,11,12).
What are the key properties of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide?
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide has a molecular weight of 174.25 g/mol, XLogP of -2.13, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide is sourced from PubChem (CID 121459092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).