N-(1-methyliminopropan-2-ylidene)methanimidamide

C5H9N3 — CID 89176231

IUPACN-(1-methyliminopropan-2-ylidene)methanimidamide
SMILES[H]/N=C/N=C(C)/C=N/C
InChIInChI=1S/C5H9N3/c1-5(3-7-2)8-4-6/h3-4,6H,1-2H3/b6-4+,7-3+,8-5+
InChIKeyVKAXIHSQNMPGFF-NLZHIDBLSA-N
MW111.15 g/mol
LogP0.75
Rot. Bonds2

About N-(1-methyliminopropan-2-ylidene)methanimidamide

N-(1-methyliminopropan-2-ylidene)methanimidamide (PubChem CID 89176231) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-(1-methyliminopropan-2-ylidene)methanimidamide.

Molecular Properties

Compound NameN-(1-methyliminopropan-2-ylidene)methanimidamide
PubChem CID89176231
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-(1-methyliminopropan-2-ylidene)methanimidamide
SMILES[H]/N=C/N=C(C)/C=N/C
InChIInChI=1S/C5H9N3/c1-5(3-7-2)8-4-6/h3-4,6H,1-2H3/b6-4+,7-3+,8-5+
InChIKeyVKAXIHSQNMPGFF-NLZHIDBLSA-N
XLogP0.75
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.75
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-(1-methyliminopropan-2-ylidene)methanimidamide?
The IUPAC name of N-(1-methyliminopropan-2-ylidene)methanimidamide (CID 89176231) is N-(1-methyliminopropan-2-ylidene)methanimidamide.
What is the SMILES notation for N-(1-methyliminopropan-2-ylidene)methanimidamide?
The canonical SMILES for N-(1-methyliminopropan-2-ylidene)methanimidamide is [H]/N=C/N=C(C)/C=N/C.
What is the InChIKey of N-(1-methyliminopropan-2-ylidene)methanimidamide?
The InChIKey is VKAXIHSQNMPGFF-NLZHIDBLSA-N. The full InChI is InChI=1S/C5H9N3/c1-5(3-7-2)8-4-6/h3-4,6H,1-2H3/b6-4+,7-3+,8-5+.
What are the key properties of N-(1-methyliminopropan-2-ylidene)methanimidamide?
N-(1-methyliminopropan-2-ylidene)methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyliminopropan-2-ylidene)methanimidamide is sourced from PubChem (CID 89176231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).