N,N-dimethyl-N'-octylpropanimidamide

C13H28N2 — CID 525843

IUPACN,N-dimethyl-N'-octylpropanimidamide
SMILESCCCCCCCC/N=C(\CC)N(C)C
InChIInChI=1S/C13H28N2/c1-5-7-8-9-10-11-12-14-13(6-2)15(3)4/h5-12H2,1-4H3/b14-13+
InChIKeyUKISWUKKGLMKJY-BUHFOSPRSA-N
MW212.38 g/mol
LogP3.72
Rot. Bonds8

About N,N-dimethyl-N'-octylpropanimidamide

N,N-dimethyl-N'-octylpropanimidamide (PubChem CID 525843) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-dimethyl-N'-octylpropanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-octylpropanimidamide
PubChem CID525843
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-dimethyl-N'-octylpropanimidamide
SMILESCCCCCCCC/N=C(\CC)N(C)C
InChIInChI=1S/C13H28N2/c1-5-7-8-9-10-11-12-14-13(6-2)15(3)4/h5-12H2,1-4H3/b14-13+
InChIKeyUKISWUKKGLMKJY-BUHFOSPRSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
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-dimethyl-N'-octylpropanimidamide?
The IUPAC name of N,N-dimethyl-N'-octylpropanimidamide (CID 525843) is N,N-dimethyl-N'-octylpropanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-octylpropanimidamide?
The canonical SMILES for N,N-dimethyl-N'-octylpropanimidamide is CCCCCCCC/N=C(\CC)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-octylpropanimidamide?
The InChIKey is UKISWUKKGLMKJY-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-7-8-9-10-11-12-14-13(6-2)15(3)4/h5-12H2,1-4H3/b14-13+.
What are the key properties of N,N-dimethyl-N'-octylpropanimidamide?
N,N-dimethyl-N'-octylpropanimidamide has a molecular weight of 212.38 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-octylpropanimidamide is sourced from PubChem (CID 525843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).