N'-butyl-N-(dimethylamino)ethanimidamide

C8H19N3 — CID 12530775

IUPACN'-butyl-N-(dimethylamino)ethanimidamide
SMILESCCCC/N=C(\C)NN(C)C
InChIInChI=1S/C8H19N3/c1-5-6-7-9-8(2)10-11(3)4/h5-7H2,1-4H3,(H,9,10)
InChIKeyVTTJTTDSYHSPHU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds4

About N'-butyl-N-(dimethylamino)ethanimidamide

N'-butyl-N-(dimethylamino)ethanimidamide (PubChem CID 12530775) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-butyl-N-(dimethylamino)ethanimidamide.

Molecular Properties

Compound NameN'-butyl-N-(dimethylamino)ethanimidamide
PubChem CID12530775
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-butyl-N-(dimethylamino)ethanimidamide
SMILESCCCC/N=C(\C)NN(C)C
InChIInChI=1S/C8H19N3/c1-5-6-7-9-8(2)10-11(3)4/h5-7H2,1-4H3,(H,9,10)
InChIKeyVTTJTTDSYHSPHU-UHFFFAOYSA-N
XLogP1.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(dimethylamino)ethanimidamide?
The IUPAC name of N'-butyl-N-(dimethylamino)ethanimidamide (CID 12530775) is N'-butyl-N-(dimethylamino)ethanimidamide.
What is the SMILES notation for N'-butyl-N-(dimethylamino)ethanimidamide?
The canonical SMILES for N'-butyl-N-(dimethylamino)ethanimidamide is CCCC/N=C(\C)NN(C)C.
What is the InChIKey of N'-butyl-N-(dimethylamino)ethanimidamide?
The InChIKey is VTTJTTDSYHSPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-5-6-7-9-8(2)10-11(3)4/h5-7H2,1-4H3,(H,9,10).
What are the key properties of N'-butyl-N-(dimethylamino)ethanimidamide?
N'-butyl-N-(dimethylamino)ethanimidamide has a molecular weight of 157.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(dimethylamino)ethanimidamide is sourced from PubChem (CID 12530775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).