N'-methyl-N-(propan-2-ylideneamino)methanimidamide

C5H11N3 — CID 129046835

IUPACN'-methyl-N-(propan-2-ylideneamino)methanimidamide
SMILESC/N=C/NN=C(C)C
InChIInChI=1S/C5H11N3/c1-5(2)8-7-4-6-3/h4H,1-3H3,(H,6,7)
InChIKeyBSSLNJHVXLOGHZ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.63
Rot. Bonds2

About N'-methyl-N-(propan-2-ylideneamino)methanimidamide

N'-methyl-N-(propan-2-ylideneamino)methanimidamide (PubChem CID 129046835) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-methyl-N-(propan-2-ylideneamino)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(propan-2-ylideneamino)methanimidamide
PubChem CID129046835
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-methyl-N-(propan-2-ylideneamino)methanimidamide
SMILESC/N=C/NN=C(C)C
InChIInChI=1S/C5H11N3/c1-5(2)8-7-4-6-3/h4H,1-3H3,(H,6,7)
InChIKeyBSSLNJHVXLOGHZ-UHFFFAOYSA-N
XLogP0.63
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.63
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-methyl-N-(propan-2-ylideneamino)methanimidamide 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'-methyl-N-(propan-2-ylideneamino)methanimidamide?
The IUPAC name of N'-methyl-N-(propan-2-ylideneamino)methanimidamide (CID 129046835) is N'-methyl-N-(propan-2-ylideneamino)methanimidamide.
What is the SMILES notation for N'-methyl-N-(propan-2-ylideneamino)methanimidamide?
The canonical SMILES for N'-methyl-N-(propan-2-ylideneamino)methanimidamide is C/N=C/NN=C(C)C.
What is the InChIKey of N'-methyl-N-(propan-2-ylideneamino)methanimidamide?
The InChIKey is BSSLNJHVXLOGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-5(2)8-7-4-6-3/h4H,1-3H3,(H,6,7).
What are the key properties of N'-methyl-N-(propan-2-ylideneamino)methanimidamide?
N'-methyl-N-(propan-2-ylideneamino)methanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(propan-2-ylideneamino)methanimidamide is sourced from PubChem (CID 129046835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).