N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide

C12H26N4O2 — CID 55228518

IUPACN-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)CCN(C)C)/C(N)=N/O
InChIInChI=1S/C12H26N4O2/c1-6-12(7-2,10(13)14-18)11(17)16(5)9-8-15(3)4/h18H,6-9H2,1-5H3,(H2,13,14)
InChIKeyOFMFDUUGGHBXHK-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.56
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide

N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide (PubChem CID 55228518) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
PubChem CID55228518
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)CCN(C)C)/C(N)=N/O
InChIInChI=1S/C12H26N4O2/c1-6-12(7-2,10(13)14-18)11(17)16(5)9-8-15(3)4/h18H,6-9H2,1-5H3,(H2,13,14)
InChIKeyOFMFDUUGGHBXHK-UHFFFAOYSA-N
XLogP0.56
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide (CID 55228518) is N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide is CCC(CC)(C(=O)N(C)CCN(C)C)/C(N)=N/O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide?
The InChIKey is OFMFDUUGGHBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-6-12(7-2,10(13)14-18)11(17)16(5)9-8-15(3)4/h18H,6-9H2,1-5H3,(H2,13,14).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide?
N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide has a molecular weight of 258.37 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide is sourced from PubChem (CID 55228518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).