N-amino-N'-(2-methylprop-1-enyl)methanimidamide

C5H11N3 — CID 90370992

IUPACN-amino-N'-(2-methylprop-1-enyl)methanimidamide
SMILESCC(C)=C/N=C/NN
InChIInChI=1S/C5H11N3/c1-5(2)3-7-4-8-6/h3-4H,6H2,1-2H3,(H,7,8)
InChIKeyPZOXQTMQAYOJBF-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds2

About N-amino-N'-(2-methylprop-1-enyl)methanimidamide

N-amino-N'-(2-methylprop-1-enyl)methanimidamide (PubChem CID 90370992) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-amino-N'-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methylprop-1-enyl)methanimidamide
PubChem CID90370992
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-amino-N'-(2-methylprop-1-enyl)methanimidamide
SMILESCC(C)=C/N=C/NN
InChIInChI=1S/C5H11N3/c1-5(2)3-7-4-8-6/h3-4H,6H2,1-2H3,(H,7,8)
InChIKeyPZOXQTMQAYOJBF-UHFFFAOYSA-N
XLogP0.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.40
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'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of N-amino-N'-(2-methylprop-1-enyl)methanimidamide (CID 90370992) is N-amino-N'-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for N-amino-N'-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for N-amino-N'-(2-methylprop-1-enyl)methanimidamide is CC(C)=C/N=C/NN.
What is the InChIKey of N-amino-N'-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is PZOXQTMQAYOJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-5(2)3-7-4-8-6/h3-4H,6H2,1-2H3,(H,7,8).
What are the key properties of N-amino-N'-(2-methylprop-1-enyl)methanimidamide?
N-amino-N'-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.40, 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-methylprop-1-enyl)methanimidamide is sourced from PubChem (CID 90370992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).