N-amino-N',2-dimethylbutanimidamide

C6H15N3 — CID 61361043

IUPACN-amino-N',2-dimethylbutanimidamide
SMILESCCC(C)/C(=N\C)NN
InChIInChI=1S/C6H15N3/c1-4-5(2)6(8-3)9-7/h5H,4,7H2,1-3H3,(H,8,9)
InChIKeyDKWRGBSPQLQZSY-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.52
Rot. Bonds2

About N-amino-N',2-dimethylbutanimidamide

N-amino-N',2-dimethylbutanimidamide (PubChem CID 61361043) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is N-amino-N',2-dimethylbutanimidamide.

Molecular Properties

Compound NameN-amino-N',2-dimethylbutanimidamide
PubChem CID61361043
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC NameN-amino-N',2-dimethylbutanimidamide
SMILESCCC(C)/C(=N\C)NN
InChIInChI=1S/C6H15N3/c1-4-5(2)6(8-3)9-7/h5H,4,7H2,1-3H3,(H,8,9)
InChIKeyDKWRGBSPQLQZSY-UHFFFAOYSA-N
XLogP0.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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'}

Analyze N-amino-N',2-dimethylbutanimidamide 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-amino-N',2-dimethylbutanimidamide?
The IUPAC name of N-amino-N',2-dimethylbutanimidamide (CID 61361043) is N-amino-N',2-dimethylbutanimidamide.
What is the SMILES notation for N-amino-N',2-dimethylbutanimidamide?
The canonical SMILES for N-amino-N',2-dimethylbutanimidamide is CCC(C)/C(=N\C)NN.
What is the InChIKey of N-amino-N',2-dimethylbutanimidamide?
The InChIKey is DKWRGBSPQLQZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-4-5(2)6(8-3)9-7/h5H,4,7H2,1-3H3,(H,8,9).
What are the key properties of N-amino-N',2-dimethylbutanimidamide?
N-amino-N',2-dimethylbutanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',2-dimethylbutanimidamide is sourced from PubChem (CID 61361043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).