N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide

C12H26N4 — CID 88543629

IUPACN'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide
SMILESC/C(=N\CCCC/N=C(\C)N(C)C)N(C)C
InChIInChI=1S/C12H26N4/c1-11(15(3)4)13-9-7-8-10-14-12(2)16(5)6/h7-10H2,1-6H3/b13-11+,14-12+
InChIKeyFHGRQCIORCJJQE-PHEQNACWSA-N
MW226.37 g/mol
LogP1.73
Rot. Bonds5

About N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide

N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide (PubChem CID 88543629) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide
PubChem CID88543629
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide
SMILESC/C(=N\CCCC/N=C(\C)N(C)C)N(C)C
InChIInChI=1S/C12H26N4/c1-11(15(3)4)13-9-7-8-10-14-12(2)16(5)6/h7-10H2,1-6H3/b13-11+,14-12+
InChIKeyFHGRQCIORCJJQE-PHEQNACWSA-N
XLogP1.73
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide (CID 88543629) is N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide is C/C(=N\CCCC/N=C(\C)N(C)C)N(C)C.
What is the InChIKey of N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide?
The InChIKey is FHGRQCIORCJJQE-PHEQNACWSA-N. The full InChI is InChI=1S/C12H26N4/c1-11(15(3)4)13-9-7-8-10-14-12(2)16(5)6/h7-10H2,1-6H3/b13-11+,14-12+.
What are the key properties of N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide?
N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide has a molecular weight of 226.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[1-(dimethylamino)ethylideneamino]butyl]-N,N-dimethylethanimidamide is sourced from PubChem (CID 88543629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).