N-amino-N'-ethylpentanimidamide

C7H17N3 — CID 61360454

IUPACN-amino-N'-ethylpentanimidamide
SMILESCCCC/C(=N\CC)NN
InChIInChI=1S/C7H17N3/c1-3-5-6-7(10-8)9-4-2/h3-6,8H2,1-2H3,(H,9,10)
InChIKeyUMBLTMDRBSCXBW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.06
Rot. Bonds4

About N-amino-N'-ethylpentanimidamide

N-amino-N'-ethylpentanimidamide (PubChem CID 61360454) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N-amino-N'-ethylpentanimidamide.

Molecular Properties

Compound NameN-amino-N'-ethylpentanimidamide
PubChem CID61360454
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN-amino-N'-ethylpentanimidamide
SMILESCCCC/C(=N\CC)NN
InChIInChI=1S/C7H17N3/c1-3-5-6-7(10-8)9-4-2/h3-6,8H2,1-2H3,(H,9,10)
InChIKeyUMBLTMDRBSCXBW-UHFFFAOYSA-N
XLogP1.06
TPSA50.41 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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethylpentanimidamide?
The IUPAC name of N-amino-N'-ethylpentanimidamide (CID 61360454) is N-amino-N'-ethylpentanimidamide.
What is the SMILES notation for N-amino-N'-ethylpentanimidamide?
The canonical SMILES for N-amino-N'-ethylpentanimidamide is CCCC/C(=N\CC)NN.
What is the InChIKey of N-amino-N'-ethylpentanimidamide?
The InChIKey is UMBLTMDRBSCXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-3-5-6-7(10-8)9-4-2/h3-6,8H2,1-2H3,(H,9,10).
What are the key properties of N-amino-N'-ethylpentanimidamide?
N-amino-N'-ethylpentanimidamide has a molecular weight of 143.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethylpentanimidamide is sourced from PubChem (CID 61360454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).