2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide

C15H33N5O4 — CID 155773621

IUPAC2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide
SMILESCOCCOCCCNC(=O)C(N)CCC(=O)NCCNCCN
InChIInChI=1S/C15H33N5O4/c1-23-11-12-24-10-2-6-20-15(22)13(17)3-4-14(21)19-9-8-18-7-5-16/h13,18H,2-12,16-17H2,1H3,(H,19,21)(H,20,22)
InChIKeyOEDMAQYODALRFE-UHFFFAOYSA-N
MW347.46 g/mol
LogP-2.07
Rot. Bonds16

About 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide

2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide (PubChem CID 155773621) has the molecular formula C15H33N5O4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide.

Molecular Properties

Compound Name2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide
PubChem CID155773621
Molecular FormulaC15H33N5O4
Molecular Weight347.46 g/mol
Exact Mass347.25
IUPAC Name2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide
SMILESCOCCOCCCNC(=O)C(N)CCC(=O)NCCNCCN
InChIInChI=1S/C15H33N5O4/c1-23-11-12-24-10-2-6-20-15(22)13(17)3-4-14(21)19-9-8-18-7-5-16/h13,18H,2-12,16-17H2,1H3,(H,19,21)(H,20,22)
InChIKeyOEDMAQYODALRFE-UHFFFAOYSA-N
XLogP-2.07
TPSA140.73 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 5-2.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diamino-N-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-2,6-diaminohexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 86675712
(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
CID 138616287
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
(2S)-2-amino-N,N'-bis[2-[2-(butanoylamino)ethoxy]ethyl]pentanediamide
CID 168852497
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
(2S)-2,6-diamino-N-[2-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethyl]hexanamide
CID 89285381

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide?
The IUPAC name of 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide (CID 155773621) is 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide.
What is the SMILES notation for 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide?
The canonical SMILES for 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide is COCCOCCCNC(=O)C(N)CCC(=O)NCCNCCN.
What is the InChIKey of 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide?
The InChIKey is OEDMAQYODALRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O4/c1-23-11-12-24-10-2-6-20-15(22)13(17)3-4-14(21)19-9-8-18-7-5-16/h13,18H,2-12,16-17H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide?
2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide has a molecular weight of 347.46 g/mol, XLogP of -2.07, 16 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide is sourced from PubChem (CID 155773621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).