N,N'-dihexylethanimidamide

C14H30N2 — CID 12021309

IUPACN,N'-dihexylethanimidamide
SMILESCCCCCC/N=C(\C)NCCCCCC
InChIInChI=1S/C14H30N2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h4-13H2,1-3H3,(H,15,16)
InChIKeyQQWMBNQYLIGLLN-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.16
Rot. Bonds10

About N,N'-dihexylethanimidamide

N,N'-dihexylethanimidamide (PubChem CID 12021309) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,N'-dihexylethanimidamide.

Molecular Properties

Compound NameN,N'-dihexylethanimidamide
PubChem CID12021309
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,N'-dihexylethanimidamide
SMILESCCCCCC/N=C(\C)NCCCCCC
InChIInChI=1S/C14H30N2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h4-13H2,1-3H3,(H,15,16)
InChIKeyQQWMBNQYLIGLLN-UHFFFAOYSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,N'-dihexylethanimidamide?
The IUPAC name of N,N'-dihexylethanimidamide (CID 12021309) is N,N'-dihexylethanimidamide.
What is the SMILES notation for N,N'-dihexylethanimidamide?
The canonical SMILES for N,N'-dihexylethanimidamide is CCCCCC/N=C(\C)NCCCCCC.
What is the InChIKey of N,N'-dihexylethanimidamide?
The InChIKey is QQWMBNQYLIGLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h4-13H2,1-3H3,(H,15,16).
What are the key properties of N,N'-dihexylethanimidamide?
N,N'-dihexylethanimidamide has a molecular weight of 226.41 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihexylethanimidamide is sourced from PubChem (CID 12021309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).