N'-methyl-N-(methylamino)cyclopropanecarboximidamide

C6H13N3 — CID 170010676

IUPACN'-methyl-N-(methylamino)cyclopropanecarboximidamide
SMILESC/N=C(/NNC)C1CC1
InChIInChI=1S/C6H13N3/c1-7-6(9-8-2)5-3-4-5/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyKJPCBWBOHPSYOD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.15
Rot. Bonds2

About N'-methyl-N-(methylamino)cyclopropanecarboximidamide

N'-methyl-N-(methylamino)cyclopropanecarboximidamide (PubChem CID 170010676) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-methyl-N-(methylamino)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(methylamino)cyclopropanecarboximidamide
PubChem CID170010676
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-methyl-N-(methylamino)cyclopropanecarboximidamide
SMILESC/N=C(/NNC)C1CC1
InChIInChI=1S/C6H13N3/c1-7-6(9-8-2)5-3-4-5/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyKJPCBWBOHPSYOD-UHFFFAOYSA-N
XLogP0.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.15
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(methylamino)cyclopropanecarboximidamide?
The IUPAC name of N'-methyl-N-(methylamino)cyclopropanecarboximidamide (CID 170010676) is N'-methyl-N-(methylamino)cyclopropanecarboximidamide.
What is the SMILES notation for N'-methyl-N-(methylamino)cyclopropanecarboximidamide?
The canonical SMILES for N'-methyl-N-(methylamino)cyclopropanecarboximidamide is C/N=C(/NNC)C1CC1.
What is the InChIKey of N'-methyl-N-(methylamino)cyclopropanecarboximidamide?
The InChIKey is KJPCBWBOHPSYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-7-6(9-8-2)5-3-4-5/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N'-methyl-N-(methylamino)cyclopropanecarboximidamide?
N'-methyl-N-(methylamino)cyclopropanecarboximidamide has a molecular weight of 127.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(methylamino)cyclopropanecarboximidamide is sourced from PubChem (CID 170010676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).