N'-butyl-N,N-dimethylpropanimidamide

C9H20N2 — CID 525837

IUPACN'-butyl-N,N-dimethylpropanimidamide
SMILESCCCC/N=C(\CC)N(C)C
InChIInChI=1S/C9H20N2/c1-5-7-8-10-9(6-2)11(3)4/h5-8H2,1-4H3/b10-9+
InChIKeyHVBSZEDUGYPQAI-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.16
Rot. Bonds4

About N'-butyl-N,N-dimethylpropanimidamide

N'-butyl-N,N-dimethylpropanimidamide (PubChem CID 525837) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-butyl-N,N-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-butyl-N,N-dimethylpropanimidamide
PubChem CID525837
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-butyl-N,N-dimethylpropanimidamide
SMILESCCCC/N=C(\CC)N(C)C
InChIInChI=1S/C9H20N2/c1-5-7-8-10-9(6-2)11(3)4/h5-8H2,1-4H3/b10-9+
InChIKeyHVBSZEDUGYPQAI-MDZDMXLPSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.16
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'-butyl-N,N-dimethylpropanimidamide?
The IUPAC name of N'-butyl-N,N-dimethylpropanimidamide (CID 525837) is N'-butyl-N,N-dimethylpropanimidamide.
What is the SMILES notation for N'-butyl-N,N-dimethylpropanimidamide?
The canonical SMILES for N'-butyl-N,N-dimethylpropanimidamide is CCCC/N=C(\CC)N(C)C.
What is the InChIKey of N'-butyl-N,N-dimethylpropanimidamide?
The InChIKey is HVBSZEDUGYPQAI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-7-8-10-9(6-2)11(3)4/h5-8H2,1-4H3/b10-9+.
What are the key properties of N'-butyl-N,N-dimethylpropanimidamide?
N'-butyl-N,N-dimethylpropanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N,N-dimethylpropanimidamide is sourced from PubChem (CID 525837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).