N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide

C19H39N5O3 — CID 159753811

IUPACN-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide
SMILESNCCCCCCCCNC(=O)C(O)CC(=O)CCCCCCN=C(N)N
InChIInChI=1S/C19H39N5O3/c20-12-8-4-1-2-5-9-13-23-18(27)17(26)15-16(25)11-7-3-6-10-14-24-19(21)22/h17,26H,1-15,20H2,(H,23,27)(H4,21,22,24)
InChIKeyNDZLHCGAIHCKPX-UHFFFAOYSA-N
MW385.55 g/mol
LogP0.95
Rot. Bonds18

About N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide

N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide (PubChem CID 159753811) has the molecular formula C19H39N5O3 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide.

Molecular Properties

Compound NameN-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide
PubChem CID159753811
Molecular FormulaC19H39N5O3
Molecular Weight385.55 g/mol
Exact Mass385.31
IUPAC NameN-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide
SMILESNCCCCCCCCNC(=O)C(O)CC(=O)CCCCCCN=C(N)N
InChIInChI=1S/C19H39N5O3/c20-12-8-4-1-2-5-9-13-23-18(27)17(26)15-16(25)11-7-3-6-10-14-24-19(21)22/h17,26H,1-15,20H2,(H,23,27)(H4,21,22,24)
InChIKeyNDZLHCGAIHCKPX-UHFFFAOYSA-N
XLogP0.95
TPSA156.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 50.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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
(2R)-2-[4-(diaminomethylideneamino)butyl]-N-hexyl-4-oxohenicosanamide
CID 160806867
3-amino-N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide;trihydrochloride
CID 173398796
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-[5-(diaminomethylideneamino)pentylamino]-1-oxohexan-2-yl]hexanamide
CID 53329971
N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide
CID 146429799
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxyethyl]-7-(diaminomethylideneamino)heptanamide
CID 54585484
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
7-(diaminomethylideneamino)-N-[1-hydroxy-2-[3-(methylamino)propylamino]-2-oxoethyl]heptanamide
CID 90152029
(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162
N-[2-[4-(3-aminopropylamino)butylamino]-1-(2-hydroxyethoxy)-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
CID 15170094

Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide?
The IUPAC name of N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide (CID 159753811) is N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide.
What is the SMILES notation for N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide?
The canonical SMILES for N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide is NCCCCCCCCNC(=O)C(O)CC(=O)CCCCCCN=C(N)N.
What is the InChIKey of N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide?
The InChIKey is NDZLHCGAIHCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O3/c20-12-8-4-1-2-5-9-13-23-18(27)17(26)15-16(25)11-7-3-6-10-14-24-19(21)22/h17,26H,1-15,20H2,(H,23,27)(H4,21,22,24).
What are the key properties of N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide?
N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide has a molecular weight of 385.55 g/mol, XLogP of 0.95, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide is sourced from PubChem (CID 159753811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).