N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide

C11H25N3 — CID 153452824

IUPACN'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide
SMILESCCC(C)/N=C(\C)NC(C)CN(C)C
InChIInChI=1S/C11H25N3/c1-7-9(2)12-11(4)13-10(3)8-14(5)6/h9-10H,7-8H2,1-6H3,(H,12,13)
InChIKeyLLDGGPGHNGJTEW-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.74
Rot. Bonds5

About N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide

N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide (PubChem CID 153452824) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide
PubChem CID153452824
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide
SMILESCCC(C)/N=C(\C)NC(C)CN(C)C
InChIInChI=1S/C11H25N3/c1-7-9(2)12-11(4)13-10(3)8-14(5)6/h9-10H,7-8H2,1-6H3,(H,12,13)
InChIKeyLLDGGPGHNGJTEW-UHFFFAOYSA-N
XLogP1.74
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide?
The IUPAC name of N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide (CID 153452824) is N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide.
What is the SMILES notation for N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide?
The canonical SMILES for N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide is CCC(C)/N=C(\C)NC(C)CN(C)C.
What is the InChIKey of N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide?
The InChIKey is LLDGGPGHNGJTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-7-9(2)12-11(4)13-10(3)8-14(5)6/h9-10H,7-8H2,1-6H3,(H,12,13).
What are the key properties of N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide?
N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide has a molecular weight of 199.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[1-(dimethylamino)propan-2-yl]ethanimidamide is sourced from PubChem (CID 153452824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).