N'-heptyl-N,N-dimethylpropanimidamide

C12H26N2 — CID 525840

IUPACN'-heptyl-N,N-dimethylpropanimidamide
SMILESCCCCCCC/N=C(\CC)N(C)C
InChIInChI=1S/C12H26N2/c1-5-7-8-9-10-11-13-12(6-2)14(3)4/h5-11H2,1-4H3/b13-12+
InChIKeyBWOAMJQFFHUBQI-OUKQBFOZSA-N
MW198.35 g/mol
LogP3.33
Rot. Bonds7

About N'-heptyl-N,N-dimethylpropanimidamide

N'-heptyl-N,N-dimethylpropanimidamide (PubChem CID 525840) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-heptyl-N,N-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-heptyl-N,N-dimethylpropanimidamide
PubChem CID525840
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-heptyl-N,N-dimethylpropanimidamide
SMILESCCCCCCC/N=C(\CC)N(C)C
InChIInChI=1S/C12H26N2/c1-5-7-8-9-10-11-13-12(6-2)14(3)4/h5-11H2,1-4H3/b13-12+
InChIKeyBWOAMJQFFHUBQI-OUKQBFOZSA-N
XLogP3.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.33
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'-heptyl-N,N-dimethylpropanimidamide?
The IUPAC name of N'-heptyl-N,N-dimethylpropanimidamide (CID 525840) is N'-heptyl-N,N-dimethylpropanimidamide.
What is the SMILES notation for N'-heptyl-N,N-dimethylpropanimidamide?
The canonical SMILES for N'-heptyl-N,N-dimethylpropanimidamide is CCCCCCC/N=C(\CC)N(C)C.
What is the InChIKey of N'-heptyl-N,N-dimethylpropanimidamide?
The InChIKey is BWOAMJQFFHUBQI-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-7-8-9-10-11-13-12(6-2)14(3)4/h5-11H2,1-4H3/b13-12+.
What are the key properties of N'-heptyl-N,N-dimethylpropanimidamide?
N'-heptyl-N,N-dimethylpropanimidamide has a molecular weight of 198.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptyl-N,N-dimethylpropanimidamide is sourced from PubChem (CID 525840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).