N'-heptyl-N,N,2-trimethylpropanimidamide

C13H28N2 — CID 525902

IUPACN'-heptyl-N,N,2-trimethylpropanimidamide
SMILESCCCCCCC/N=C(\C(C)C)N(C)C
InChIInChI=1S/C13H28N2/c1-6-7-8-9-10-11-14-13(12(2)3)15(4)5/h12H,6-11H2,1-5H3/b14-13+
InChIKeyCWPCNOFREFHUHV-BUHFOSPRSA-N
MW212.38 g/mol
LogP3.57
Rot. Bonds7

About N'-heptyl-N,N,2-trimethylpropanimidamide

N'-heptyl-N,N,2-trimethylpropanimidamide (PubChem CID 525902) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-heptyl-N,N,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN'-heptyl-N,N,2-trimethylpropanimidamide
PubChem CID525902
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-heptyl-N,N,2-trimethylpropanimidamide
SMILESCCCCCCC/N=C(\C(C)C)N(C)C
InChIInChI=1S/C13H28N2/c1-6-7-8-9-10-11-14-13(12(2)3)15(4)5/h12H,6-11H2,1-5H3/b14-13+
InChIKeyCWPCNOFREFHUHV-BUHFOSPRSA-N
XLogP3.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.57
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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Related Compounds

N,N-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 12345484
N'-Hexyl-N,N-dimethyl-acetamidine
CID 525280
N,N-Dimethyl-N'-decyl-propionamidine
CID 525839
N,N-Dimethyl-N'-hexyl-propionamidine
CID 525841
N,N-Dimethyl-N'-nonyl-propionamidine
CID 525842
N,N-Dimethyl-N'-octyl-propionamidine
CID 525843
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-Dimethyl-N'-heptyl-propionamidine
CID 525840
N,N-Dimethyl-N'-pentyl-propionamidine
CID 525844
N,N-Dimethyl-N'-butyl-isobutyramidine
CID 525896
N,N-Dimethyl-N'-cyclohexyl-isobutyramidine
CID 525898
N,N-Dimethyl-N'-decyl-isobutyramidine
CID 525900

Frequently Asked Questions

What is the IUPAC name of N'-heptyl-N,N,2-trimethylpropanimidamide?
The IUPAC name of N'-heptyl-N,N,2-trimethylpropanimidamide (CID 525902) is N'-heptyl-N,N,2-trimethylpropanimidamide.
What is the SMILES notation for N'-heptyl-N,N,2-trimethylpropanimidamide?
The canonical SMILES for N'-heptyl-N,N,2-trimethylpropanimidamide is CCCCCCC/N=C(\C(C)C)N(C)C.
What is the InChIKey of N'-heptyl-N,N,2-trimethylpropanimidamide?
The InChIKey is CWPCNOFREFHUHV-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-7-8-9-10-11-14-13(12(2)3)15(4)5/h12H,6-11H2,1-5H3/b14-13+.
What are the key properties of N'-heptyl-N,N,2-trimethylpropanimidamide?
N'-heptyl-N,N,2-trimethylpropanimidamide has a molecular weight of 212.38 g/mol, XLogP of 3.57, 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,2-trimethylpropanimidamide is sourced from PubChem (CID 525902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).