N'-(5-aminoheptyl)ethanimidamide

C9H21N3 — CID 15896142

IUPACN'-(5-aminoheptyl)ethanimidamide
SMILESCCC(N)CCCC/N=C(\C)N
InChIInChI=1S/C9H21N3/c1-3-9(11)6-4-5-7-12-8(2)10/h9H,3-7,11H2,1-2H3,(H2,10,12)
InChIKeyUHGAIWINHDIROY-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.27
Rot. Bonds6

About N'-(5-aminoheptyl)ethanimidamide

N'-(5-aminoheptyl)ethanimidamide (PubChem CID 15896142) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N'-(5-aminoheptyl)ethanimidamide.

Molecular Properties

Compound NameN'-(5-aminoheptyl)ethanimidamide
PubChem CID15896142
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN'-(5-aminoheptyl)ethanimidamide
SMILESCCC(N)CCCC/N=C(\C)N
InChIInChI=1S/C9H21N3/c1-3-9(11)6-4-5-7-12-8(2)10/h9H,3-7,11H2,1-2H3,(H2,10,12)
InChIKeyUHGAIWINHDIROY-UHFFFAOYSA-N
XLogP1.27
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.27
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'-(5-aminoheptyl)ethanimidamide?
The IUPAC name of N'-(5-aminoheptyl)ethanimidamide (CID 15896142) is N'-(5-aminoheptyl)ethanimidamide.
What is the SMILES notation for N'-(5-aminoheptyl)ethanimidamide?
The canonical SMILES for N'-(5-aminoheptyl)ethanimidamide is CCC(N)CCCC/N=C(\C)N.
What is the InChIKey of N'-(5-aminoheptyl)ethanimidamide?
The InChIKey is UHGAIWINHDIROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-3-9(11)6-4-5-7-12-8(2)10/h9H,3-7,11H2,1-2H3,(H2,10,12).
What are the key properties of N'-(5-aminoheptyl)ethanimidamide?
N'-(5-aminoheptyl)ethanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-aminoheptyl)ethanimidamide is sourced from PubChem (CID 15896142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).