N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide

C18H40N6O — CID 10498499

IUPACN-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide
SMILESNCCCNCCCCNC(=O)CCCCCCCCCN=C(N)N
InChIInChI=1S/C18H40N6O/c19-12-10-14-22-13-8-9-15-23-17(25)11-6-4-2-1-3-5-7-16-24-18(20)21/h22H,1-16,19H2,(H,23,25)(H4,20,21,24)
InChIKeyGPPMSITUQZUCDJ-UHFFFAOYSA-N
MW356.56 g/mol
LogP1.22
Rot. Bonds18

About N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide

N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide (PubChem CID 10498499) has the molecular formula C18H40N6O and a molecular weight of 356.56 g/mol. Its IUPAC name is N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide.

Molecular Properties

Compound NameN-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide
PubChem CID10498499
Molecular FormulaC18H40N6O
Molecular Weight356.56 g/mol
Exact Mass356.33
IUPAC NameN-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide
SMILESNCCCNCCCCNC(=O)CCCCCCCCCN=C(N)N
InChIInChI=1S/C18H40N6O/c19-12-10-14-22-13-8-9-15-23-17(25)11-6-4-2-1-3-5-7-16-24-18(20)21/h22H,1-16,19H2,(H,23,25)(H4,20,21,24)
InChIKeyGPPMSITUQZUCDJ-UHFFFAOYSA-N
XLogP1.22
TPSA131.55 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 51.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

Lauramidopropyl Dimethylamine
CID 51392
Stearamidopropyl Dimethylamine
CID 62109
Myristamidopropyl Dimethylamine
CID 170759
Palmitamidopropyl Dimethylamine
CID 38313
Behenic acid dimethylaminopropylamide
CID 108912
Heptanamide, N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-
CID 9861665
N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]octanediamide
CID 10209182
Hexadecanamide, N-(3-aminopropyl)-
CID 78611
Dodecanamide, N-(3-aminopropyl)-
CID 82593
N-(3-Aminopropyl)myristamide
CID 83522
Palmitoylputrescine
CID 21580268
N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]heptanediamide
CID 10119196

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide?
The IUPAC name of N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide (CID 10498499) is N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide.
What is the SMILES notation for N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide?
The canonical SMILES for N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide is NCCCNCCCCNC(=O)CCCCCCCCCN=C(N)N.
What is the InChIKey of N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide?
The InChIKey is GPPMSITUQZUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N6O/c19-12-10-14-22-13-8-9-15-23-17(25)11-6-4-2-1-3-5-7-16-24-18(20)21/h22H,1-16,19H2,(H,23,25)(H4,20,21,24).
What are the key properties of N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide?
N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide has a molecular weight of 356.56 g/mol, XLogP of 1.22, 18 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)decanamide is sourced from PubChem (CID 10498499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).