N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide

C19H41N7O3 — CID 87120374

IUPACN-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide
SMILESNCCCNCCCCNC(=O)C(O)C(=O)NCCCCCCCC/N=C/NN
InChIInChI=1S/C19H41N7O3/c20-10-9-13-22-11-7-8-15-25-19(29)17(27)18(28)24-14-6-4-2-1-3-5-12-23-16-26-21/h16-17,22,27H,1-15,20-21H2,(H,23,26)(H,24,28)(H,25,29)
InChIKeyQWNAOANZLUHNKS-UHFFFAOYSA-N
MW415.58 g/mol
LogP-0.87
Rot. Bonds20

About N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide

N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide (PubChem CID 87120374) has the molecular formula C19H41N7O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide.

Molecular Properties

Compound NameN-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide
PubChem CID87120374
Molecular FormulaC19H41N7O3
Molecular Weight415.58 g/mol
Exact Mass415.33
IUPAC NameN-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide
SMILESNCCCNCCCCNC(=O)C(O)C(=O)NCCCCCCCC/N=C/NN
InChIInChI=1S/C19H41N7O3/c20-10-9-13-22-11-7-8-15-25-19(29)17(27)18(28)24-14-6-4-2-1-3-5-12-23-16-26-21/h16-17,22,27H,1-15,20-21H2,(H,23,26)(H,24,28)(H,25,29)
InChIKeyQWNAOANZLUHNKS-UHFFFAOYSA-N
XLogP-0.87
TPSA166.89 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 5-0.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
CID 135056308
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-[3-[4-(3-aminopropylamino)butylamino]-2-hydroxy-3-oxopropyl]-7-(diaminomethylideneamino)heptanamide
CID 14801245
N-[3-[4-(3-aminopropylamino)butylamino]-2-hydroxy-3-oxopropyl]-7-(diaminomethylideneamino)heptanamide;trihydrochloride
CID 14801246
N-[4-(3-aminobutylamino)butyl]-N'-[8-(diaminomethylideneamino)octyl]-2-hydroxypropanediamide
CID 19043112
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
(Z)-N'-[4-(3-aminopropylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]but-2-enediamide
CID 10667690
3-amino-N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide;trihydrochloride
CID 173398796
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide?
The IUPAC name of N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide (CID 87120374) is N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide.
What is the SMILES notation for N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide?
The canonical SMILES for N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide is NCCCNCCCCNC(=O)C(O)C(=O)NCCCCCCCC/N=C/NN.
What is the InChIKey of N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide?
The InChIKey is QWNAOANZLUHNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N7O3/c20-10-9-13-22-11-7-8-15-25-19(29)17(27)18(28)24-14-6-4-2-1-3-5-12-23-16-26-21/h16-17,22,27H,1-15,20-21H2,(H,23,26)(H,24,28)(H,25,29).
What are the key properties of N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide?
N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide has a molecular weight of 415.58 g/mol, XLogP of -0.87, 20 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylamino)butyl]-N'-[8-(hydrazinylmethylideneamino)octyl]-2-hydroxypropanediamide is sourced from PubChem (CID 87120374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).