N'-(4-aminopentyl)ethanimidamide

C7H17N3 — CID 22133375

IUPACN'-(4-aminopentyl)ethanimidamide
SMILESC/C(N)=N\CCCC(C)N
InChIInChI=1S/C7H17N3/c1-6(8)4-3-5-10-7(2)9/h6H,3-5,8H2,1-2H3,(H2,9,10)
InChIKeyDHJASPILKKVWBE-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.49
Rot. Bonds4

About N'-(4-aminopentyl)ethanimidamide

N'-(4-aminopentyl)ethanimidamide (PubChem CID 22133375) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N'-(4-aminopentyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-aminopentyl)ethanimidamide
PubChem CID22133375
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN'-(4-aminopentyl)ethanimidamide
SMILESC/C(N)=N\CCCC(C)N
InChIInChI=1S/C7H17N3/c1-6(8)4-3-5-10-7(2)9/h6H,3-5,8H2,1-2H3,(H2,9,10)
InChIKeyDHJASPILKKVWBE-UHFFFAOYSA-N
XLogP0.49
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N'-(4-aminopentyl)ethanimidamide?
The IUPAC name of N'-(4-aminopentyl)ethanimidamide (CID 22133375) is N'-(4-aminopentyl)ethanimidamide.
What is the SMILES notation for N'-(4-aminopentyl)ethanimidamide?
The canonical SMILES for N'-(4-aminopentyl)ethanimidamide is C/C(N)=N\CCCC(C)N.
What is the InChIKey of N'-(4-aminopentyl)ethanimidamide?
The InChIKey is DHJASPILKKVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(8)4-3-5-10-7(2)9/h6H,3-5,8H2,1-2H3,(H2,9,10).
What are the key properties of N'-(4-aminopentyl)ethanimidamide?
N'-(4-aminopentyl)ethanimidamide has a molecular weight of 143.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminopentyl)ethanimidamide is sourced from PubChem (CID 22133375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).