N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide

C6H13N3 — CID 90452805

IUPACN'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide
SMILESC/N=C/N/C=C\CNC
InChIInChI=1S/C6H13N3/c1-7-4-3-5-9-6-8-2/h3,5-7H,4H2,1-2H3,(H,8,9)/b5-3-
InChIKeyMQHAQZMPJXDISQ-HYXAFXHYSA-N
MW127.19 g/mol
LogP-0.03
Rot. Bonds4

About N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide

N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide (PubChem CID 90452805) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide
PubChem CID90452805
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide
SMILESC/N=C/N/C=C\CNC
InChIInChI=1S/C6H13N3/c1-7-4-3-5-9-6-8-2/h3,5-7H,4H2,1-2H3,(H,8,9)/b5-3-
InChIKeyMQHAQZMPJXDISQ-HYXAFXHYSA-N
XLogP-0.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
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'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide (CID 90452805) is N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide is C/N=C/N/C=C\CNC.
What is the InChIKey of N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide?
The InChIKey is MQHAQZMPJXDISQ-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H13N3/c1-7-4-3-5-9-6-8-2/h3,5-7H,4H2,1-2H3,(H,8,9)/b5-3-.
What are the key properties of N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide?
N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide has a molecular weight of 127.19 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide is sourced from PubChem (CID 90452805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).