N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide

C10H23N5O2 — CID 144951076

IUPACN-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide
SMILESNCCOCCNC(=O)CCCCN=C(N)N
InChIInChI=1S/C10H23N5O2/c11-4-7-17-8-6-14-9(16)3-1-2-5-15-10(12)13/h1-8,11H2,(H,14,16)(H4,12,13,15)
InChIKeyUHHBXJZZOKYZNT-UHFFFAOYSA-N
MW245.33 g/mol
LogP-1.48
Rot. Bonds10

About N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide

N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide (PubChem CID 144951076) has the molecular formula C10H23N5O2 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide
PubChem CID144951076
Molecular FormulaC10H23N5O2
Molecular Weight245.33 g/mol
Exact Mass245.19
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide
SMILESNCCOCCNC(=O)CCCCN=C(N)N
InChIInChI=1S/C10H23N5O2/c11-4-7-17-8-6-14-9(16)3-1-2-5-15-10(12)13/h1-8,11H2,(H,14,16)(H4,12,13,15)
InChIKeyUHHBXJZZOKYZNT-UHFFFAOYSA-N
XLogP-1.48
TPSA128.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
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

6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-azidohexanamide
CID 171532583
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
CID 143157402
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide (CID 144951076) is N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide is NCCOCCNC(=O)CCCCN=C(N)N.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide?
The InChIKey is UHHBXJZZOKYZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O2/c11-4-7-17-8-6-14-9(16)3-1-2-5-15-10(12)13/h1-8,11H2,(H,14,16)(H4,12,13,15).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide?
N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide has a molecular weight of 245.33 g/mol, XLogP of -1.48, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 144951076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).