N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide

C17H41N7O2 — CID 118629495

IUPACN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide
SMILESCC(N)COCC(C)NCCC(=O)NCCNCCNCCNCCN
InChIInChI=1S/C17H41N7O2/c1-15(19)13-26-14-16(2)23-5-3-17(25)24-12-11-22-10-9-21-8-7-20-6-4-18/h15-16,20-23H,3-14,18-19H2,1-2H3,(H,24,25)
InChIKeyWJXARYQELCPZCM-UHFFFAOYSA-N
MW375.56 g/mol
LogP-2.44
Rot. Bonds19

About N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide

N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide (PubChem CID 118629495) has the molecular formula C17H41N7O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide
PubChem CID118629495
Molecular FormulaC17H41N7O2
Molecular Weight375.56 g/mol
Exact Mass375.33
IUPAC NameN-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide
SMILESCC(N)COCC(C)NCCC(=O)NCCNCCNCCNCCN
InChIInChI=1S/C17H41N7O2/c1-15(19)13-26-14-16(2)23-5-3-17(25)24-12-11-22-10-9-21-8-7-20-6-4-18/h15-16,20-23H,3-14,18-19H2,1-2H3,(H,24,25)
InChIKeyWJXARYQELCPZCM-UHFFFAOYSA-N
XLogP-2.44
TPSA138.49 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 5-2.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
CID 118629494
2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide
CID 155773621
N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
CID 100925313
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
CID 71344394
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
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-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
4-amino-N-(4-oxobutyl)butanamide
CID 123471049

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide?
The IUPAC name of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide (CID 118629495) is N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide?
The canonical SMILES for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide is CC(N)COCC(C)NCCC(=O)NCCNCCNCCNCCN.
What is the InChIKey of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide?
The InChIKey is WJXARYQELCPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H41N7O2/c1-15(19)13-26-14-16(2)23-5-3-17(25)24-12-11-22-10-9-21-8-7-20-6-4-18/h15-16,20-23H,3-14,18-19H2,1-2H3,(H,24,25).
What are the key properties of N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide?
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide has a molecular weight of 375.56 g/mol, XLogP of -2.44, 19 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide is sourced from PubChem (CID 118629495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).