N,N'-dibutylpropanimidamide

C11H24N2 — CID 86103188

IUPACN,N'-dibutylpropanimidamide
SMILESCCCC/N=C(\CC)NCCCC
InChIInChI=1S/C11H24N2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h4-10H2,1-3H3,(H,12,13)
InChIKeyFTNJDQKLVQFVAJ-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.98
Rot. Bonds7

About N,N'-dibutylpropanimidamide

N,N'-dibutylpropanimidamide (PubChem CID 86103188) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N,N'-dibutylpropanimidamide.

Molecular Properties

Compound NameN,N'-dibutylpropanimidamide
PubChem CID86103188
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN,N'-dibutylpropanimidamide
SMILESCCCC/N=C(\CC)NCCCC
InChIInChI=1S/C11H24N2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h4-10H2,1-3H3,(H,12,13)
InChIKeyFTNJDQKLVQFVAJ-UHFFFAOYSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.98
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'-dibutylpropanimidamide?
The IUPAC name of N,N'-dibutylpropanimidamide (CID 86103188) is N,N'-dibutylpropanimidamide.
What is the SMILES notation for N,N'-dibutylpropanimidamide?
The canonical SMILES for N,N'-dibutylpropanimidamide is CCCC/N=C(\CC)NCCCC.
What is the InChIKey of N,N'-dibutylpropanimidamide?
The InChIKey is FTNJDQKLVQFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h4-10H2,1-3H3,(H,12,13).
What are the key properties of N,N'-dibutylpropanimidamide?
N,N'-dibutylpropanimidamide has a molecular weight of 184.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutylpropanimidamide is sourced from PubChem (CID 86103188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).