2-amino-N'-methyl-N-prop-1-enylethanimidamide

C6H13N3 — CID 123595067

IUPAC2-amino-N'-methyl-N-prop-1-enylethanimidamide
SMILESCC=CN/C(CN)=N/C
InChIInChI=1S/C6H13N3/c1-3-4-9-6(5-7)8-2/h3-4H,5,7H2,1-2H3,(H,8,9)
InChIKeyOORMZWAQDHMTMA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.10
Rot. Bonds2

About 2-amino-N'-methyl-N-prop-1-enylethanimidamide

2-amino-N'-methyl-N-prop-1-enylethanimidamide (PubChem CID 123595067) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-amino-N'-methyl-N-prop-1-enylethanimidamide.

Molecular Properties

Compound Name2-amino-N'-methyl-N-prop-1-enylethanimidamide
PubChem CID123595067
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-amino-N'-methyl-N-prop-1-enylethanimidamide
SMILESCC=CN/C(CN)=N/C
InChIInChI=1S/C6H13N3/c1-3-4-9-6(5-7)8-2/h3-4H,5,7H2,1-2H3,(H,8,9)
InChIKeyOORMZWAQDHMTMA-UHFFFAOYSA-N
XLogP0.10
TPSA50.41 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 ≤ 50.10
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

N-[(1E)-2-fluorobuta-1,3-dienyl]-N'-methylethanimidamide
CID 156349099
2-Methyl-1,4-dihydropyrimidine
CID 13432429
2-Methyl-1H-1,3-diazepine
CID 56992381
1H-1,3-diazepin-2-ylmethanamine
CID 57073764
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
N-ethenyl-N'-ethylethanimidamide
CID 87281065
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
(Z)-3-amino-N,N'-dimethylprop-2-enimidamide
CID 89277725
(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide
CID 89341002
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
N'-(2-aminoethyl)-N-[(Z)-prop-1-enyl]methanimidamide
CID 90322311

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-methyl-N-prop-1-enylethanimidamide?
The IUPAC name of 2-amino-N'-methyl-N-prop-1-enylethanimidamide (CID 123595067) is 2-amino-N'-methyl-N-prop-1-enylethanimidamide.
What is the SMILES notation for 2-amino-N'-methyl-N-prop-1-enylethanimidamide?
The canonical SMILES for 2-amino-N'-methyl-N-prop-1-enylethanimidamide is CC=CN/C(CN)=N/C.
What is the InChIKey of 2-amino-N'-methyl-N-prop-1-enylethanimidamide?
The InChIKey is OORMZWAQDHMTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-4-9-6(5-7)8-2/h3-4H,5,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-N'-methyl-N-prop-1-enylethanimidamide?
2-amino-N'-methyl-N-prop-1-enylethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-methyl-N-prop-1-enylethanimidamide is sourced from PubChem (CID 123595067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).