ethane;N'-propylethanimidamide

C9H24N2 — CID 156797871

IUPACethane;N'-propylethanimidamide
SMILESCC.CC.CCC/N=C(\C)N
InChIInChI=1S/C5H12N2.2C2H6/c1-3-4-7-5(2)6;2*1-2/h3-4H2,1-2H3,(H2,6,7);2*1-2H3
InChIKeyMLABVKOORVPHOV-UHFFFAOYSA-N
MW160.30 g/mol
LogP2.83
Rot. Bonds2

About ethane;N'-propylethanimidamide

ethane;N'-propylethanimidamide (PubChem CID 156797871) has the molecular formula C9H24N2 and a molecular weight of 160.30 g/mol. Its IUPAC name is ethane;N'-propylethanimidamide.

Molecular Properties

Compound Nameethane;N'-propylethanimidamide
PubChem CID156797871
Molecular FormulaC9H24N2
Molecular Weight160.30 g/mol
Exact Mass160.19
IUPAC Nameethane;N'-propylethanimidamide
SMILESCC.CC.CCC/N=C(\C)N
InChIInChI=1S/C5H12N2.2C2H6/c1-3-4-7-5(2)6;2*1-2/h3-4H2,1-2H3,(H2,6,7);2*1-2H3
InChIKeyMLABVKOORVPHOV-UHFFFAOYSA-N
XLogP2.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 52.83
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 ethane;N'-propylethanimidamide?
The IUPAC name of ethane;N'-propylethanimidamide (CID 156797871) is ethane;N'-propylethanimidamide.
What is the SMILES notation for ethane;N'-propylethanimidamide?
The canonical SMILES for ethane;N'-propylethanimidamide is CC.CC.CCC/N=C(\C)N.
What is the InChIKey of ethane;N'-propylethanimidamide?
The InChIKey is MLABVKOORVPHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2C2H6/c1-3-4-7-5(2)6;2*1-2/h3-4H2,1-2H3,(H2,6,7);2*1-2H3.
What are the key properties of ethane;N'-propylethanimidamide?
ethane;N'-propylethanimidamide has a molecular weight of 160.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-propylethanimidamide is sourced from PubChem (CID 156797871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).