N,N'-dipropylethanimidamide

C8H18N2 — CID 12021308

IUPACN,N'-dipropylethanimidamide
SMILESCCC/N=C(\C)NCCC
InChIInChI=1S/C8H18N2/c1-4-6-9-8(3)10-7-5-2/h4-7H2,1-3H3,(H,9,10)
InChIKeyGQOFLGSFJGEWAF-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.81
Rot. Bonds4

About N,N'-dipropylethanimidamide

N,N'-dipropylethanimidamide (PubChem CID 12021308) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N'-dipropylethanimidamide.

Molecular Properties

Compound NameN,N'-dipropylethanimidamide
PubChem CID12021308
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N'-dipropylethanimidamide
SMILESCCC/N=C(\C)NCCC
InChIInChI=1S/C8H18N2/c1-4-6-9-8(3)10-7-5-2/h4-7H2,1-3H3,(H,9,10)
InChIKeyGQOFLGSFJGEWAF-UHFFFAOYSA-N
XLogP1.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.81
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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Related Compounds

2-(propylamino)-2-propyliminoacetic acid
CID 87187042
N-ethenyl-N'-propylethanimidamide
CID 123737533
2-methylpropyl N,N'-dipropylcarbamimidate
CID 139525993
[dimethylamino-[(N,N'-dipropylcarbamimidoyl)amino]methylidene]-dimethylazanium
CID 140927163
ethane;N'-propylethanimidamide
CID 156797871
3,4-dichloro-N,N'-dipropylbenzenecarboximidamide
CID 13354820
2-oxo-N-propylpropanamide
CID 13291521
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
N-[(1Z)-1-(butylamino)-3-methylidene-4-(propylamino)penta-1,4-dienyl]-N'-propylbut-3-enimidamide
CID 139547218
2-propyliminopropanoic acid
CID 91004291
N-methylacetamide;N-propylacetamide
CID 160752156

Frequently Asked Questions

What is the IUPAC name of N,N'-dipropylethanimidamide?
The IUPAC name of N,N'-dipropylethanimidamide (CID 12021308) is N,N'-dipropylethanimidamide.
What is the SMILES notation for N,N'-dipropylethanimidamide?
The canonical SMILES for N,N'-dipropylethanimidamide is CCC/N=C(\C)NCCC.
What is the InChIKey of N,N'-dipropylethanimidamide?
The InChIKey is GQOFLGSFJGEWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-9-8(3)10-7-5-2/h4-7H2,1-3H3,(H,9,10).
What are the key properties of N,N'-dipropylethanimidamide?
N,N'-dipropylethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropylethanimidamide is sourced from PubChem (CID 12021308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).