N'-[(prop-2-enylamino)methyl]methanimidamide

C5H11N3 — CID 174363892

IUPACN'-[(prop-2-enylamino)methyl]methanimidamide
SMILESC=CCNCN=CN
InChIInChI=1S/C5H11N3/c1-2-3-7-5-8-4-6/h2,4,7H,1,3,5H2,(H2,6,8)
InChIKeyBKWPMEBRWWLDJV-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.29
Rot. Bonds4

About N'-[(prop-2-enylamino)methyl]methanimidamide

N'-[(prop-2-enylamino)methyl]methanimidamide (PubChem CID 174363892) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-[(prop-2-enylamino)methyl]methanimidamide.

Molecular Properties

Compound NameN'-[(prop-2-enylamino)methyl]methanimidamide
PubChem CID174363892
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-[(prop-2-enylamino)methyl]methanimidamide
SMILESC=CCNCN=CN
InChIInChI=1S/C5H11N3/c1-2-3-7-5-8-4-6/h2,4,7H,1,3,5H2,(H2,6,8)
InChIKeyBKWPMEBRWWLDJV-UHFFFAOYSA-N
XLogP-0.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(prop-2-enylamino)methyl]methanimidamide?
The IUPAC name of N'-[(prop-2-enylamino)methyl]methanimidamide (CID 174363892) is N'-[(prop-2-enylamino)methyl]methanimidamide.
What is the SMILES notation for N'-[(prop-2-enylamino)methyl]methanimidamide?
The canonical SMILES for N'-[(prop-2-enylamino)methyl]methanimidamide is C=CCNCN=CN.
What is the InChIKey of N'-[(prop-2-enylamino)methyl]methanimidamide?
The InChIKey is BKWPMEBRWWLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-2-3-7-5-8-4-6/h2,4,7H,1,3,5H2,(H2,6,8).
What are the key properties of N'-[(prop-2-enylamino)methyl]methanimidamide?
N'-[(prop-2-enylamino)methyl]methanimidamide has a molecular weight of 113.16 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(prop-2-enylamino)methyl]methanimidamide is sourced from PubChem (CID 174363892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).