3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide

C12H27N5O2 — CID 148765600

IUPAC3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide
SMILESCCNNCCNC(=O)CCN(CCN)CCC=O
InChIInChI=1S/C12H27N5O2/c1-2-15-16-7-6-14-12(19)4-9-17(10-5-13)8-3-11-18/h11,15-16H,2-10,13H2,1H3,(H,14,19)
InChIKeyOHJYVMPJHGNUFW-UHFFFAOYSA-N
MW273.38 g/mol
LogP-1.54
Rot. Bonds13

About 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide

3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide (PubChem CID 148765600) has the molecular formula C12H27N5O2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide
PubChem CID148765600
Molecular FormulaC12H27N5O2
Molecular Weight273.38 g/mol
Exact Mass273.22
IUPAC Name3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide
SMILESCCNNCCNC(=O)CCN(CCN)CCC=O
InChIInChI=1S/C12H27N5O2/c1-2-15-16-7-6-14-12(19)4-9-17(10-5-13)8-3-11-18/h11,15-16H,2-10,13H2,1H3,(H,14,19)
InChIKeyOHJYVMPJHGNUFW-UHFFFAOYSA-N
XLogP-1.54
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide
CID 132559980
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879
N-(2-aminoethyl)-4-[2-[[4-(2-aminoethylamino)-4-oxobutyl]-[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[3-(2-aminoethylamino)-3-oxopropyl]amino]butanamide
CID 163628502
N-(2-aminoethyl)-4-[2-[bis[4-(2-aminoethylamino)-4-oxobutyl]amino]ethyl-(4-oxobutyl)amino]butanamide;N'-methylethane-1,2-diamine
CID 144623908
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[3-[3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide
CID 10579255
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
CID 160990447
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
N-(2-tert-butylsulfanylethyl)-3-[octyl(3-oxopropyl)amino]propanamide
CID 123231701
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]amino]propanoylamino]ethyl]amino]propanamide
CID 101243782
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide?
The IUPAC name of 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide (CID 148765600) is 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide.
What is the SMILES notation for 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide?
The canonical SMILES for 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide is CCNNCCNC(=O)CCN(CCN)CCC=O.
What is the InChIKey of 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide?
The InChIKey is OHJYVMPJHGNUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5O2/c1-2-15-16-7-6-14-12(19)4-9-17(10-5-13)8-3-11-18/h11,15-16H,2-10,13H2,1H3,(H,14,19).
What are the key properties of 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide?
3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide has a molecular weight of 273.38 g/mol, XLogP of -1.54, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide is sourced from PubChem (CID 148765600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).