N'-pentan-2-ylethanimidamide

C7H16N2 — CID 62049604

IUPACN'-pentan-2-ylethanimidamide
SMILESCCCC(C)/N=C(\C)N
InChIInChI=1S/C7H16N2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3,(H2,8,9)
InChIKeyPFHXGJGWPGRPFT-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.55
Rot. Bonds3

About N'-pentan-2-ylethanimidamide

N'-pentan-2-ylethanimidamide (PubChem CID 62049604) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-pentan-2-ylethanimidamide.

Molecular Properties

Compound NameN'-pentan-2-ylethanimidamide
PubChem CID62049604
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-pentan-2-ylethanimidamide
SMILESCCCC(C)/N=C(\C)N
InChIInChI=1S/C7H16N2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3,(H2,8,9)
InChIKeyPFHXGJGWPGRPFT-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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'-pentan-2-ylethanimidamide?
The IUPAC name of N'-pentan-2-ylethanimidamide (CID 62049604) is N'-pentan-2-ylethanimidamide.
What is the SMILES notation for N'-pentan-2-ylethanimidamide?
The canonical SMILES for N'-pentan-2-ylethanimidamide is CCCC(C)/N=C(\C)N.
What is the InChIKey of N'-pentan-2-ylethanimidamide?
The InChIKey is PFHXGJGWPGRPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of N'-pentan-2-ylethanimidamide?
N'-pentan-2-ylethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-2-ylethanimidamide is sourced from PubChem (CID 62049604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).