N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide

C6H13N3 — CID 123638132

IUPACN'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide
SMILESC=CC(NC)N/C=N/C
InChIInChI=1S/C6H13N3/c1-4-6(8-3)9-5-7-2/h4-6,8H,1H2,2-3H3,(H,7,9)
InChIKeyTYRMEVWJOMEVEZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.03
Rot. Bonds4

About N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide

N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide (PubChem CID 123638132) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide
PubChem CID123638132
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide
SMILESC=CC(NC)N/C=N/C
InChIInChI=1S/C6H13N3/c1-4-6(8-3)9-5-7-2/h4-6,8H,1H2,2-3H3,(H,7,9)
InChIKeyTYRMEVWJOMEVEZ-UHFFFAOYSA-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': 'het-C-het_not_in_ring', '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'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide (CID 123638132) is N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide is C=CC(NC)N/C=N/C.
What is the InChIKey of N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide?
The InChIKey is TYRMEVWJOMEVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-6(8-3)9-5-7-2/h4-6,8H,1H2,2-3H3,(H,7,9).
What are the key properties of N'-methyl-N-[1-(methylamino)prop-2-enyl]methanimidamide?
N'-methyl-N-[1-(methylamino)prop-2-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-[1-(methylamino)prop-2-enyl]methanimidamide is sourced from PubChem (CID 123638132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).