N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide

C7H15N3 — CID 123372608

IUPACN'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)NC(C)=NCNC
InChIInChI=1S/C7H15N3/c1-6(2)10-7(3)9-5-8-4/h8H,1,5H2,2-4H3,(H,9,10)
InChIKeyPDKVTWMNJNUUKP-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.70
Rot. Bonds3

About N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide

N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide (PubChem CID 123372608) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide
PubChem CID123372608
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)NC(C)=NCNC
InChIInChI=1S/C7H15N3/c1-6(2)10-7(3)9-5-8-4/h8H,1,5H2,2-4H3,(H,9,10)
InChIKeyPDKVTWMNJNUUKP-UHFFFAOYSA-N
XLogP0.70
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.70
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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Related Compounds

1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
N-but-1-en-2-yl-N'-methylethanimidamide
CID 89152931
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 91470690
N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
CID 118973315
N'-ethyl-N-prop-1-en-2-ylethanimidamide
CID 123768299
N,N'-bis(prop-1-en-2-yl)methanimidamide
CID 123891901
N-[(E)-2-aminoprop-1-enyl]-N'-methylethanimidamide
CID 134365968
N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
CID 134366012
N'-methyl-N-prop-1-en-2-ylpropanimidamide
CID 142586456
methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium
CID 145644071
N-(3-aminoprop-1-en-2-yl)-N'-methylethanimidamide
CID 146270867

Frequently Asked Questions

What is the IUPAC name of N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide (CID 123372608) is N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide is C=C(C)NC(C)=NCNC.
What is the InChIKey of N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide?
The InChIKey is PDKVTWMNJNUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-6(2)10-7(3)9-5-8-4/h8H,1,5H2,2-4H3,(H,9,10).
What are the key properties of N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide?
N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 123372608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).