methanimidamide;N-methylethanamine

C4H13N3 — CID 157328600

IUPACmethanimidamide;N-methylethanamine
SMILESCCNC.[H]/N=C/N
InChIInChI=1S/C3H9N.CH4N2/c1-3-4-2;2-1-3/h4H,3H2,1-2H3;1H,(H3,2,3)
InChIKeyBFACMGZODHUEAR-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.22
Rot. Bonds1

About methanimidamide;N-methylethanamine

methanimidamide;N-methylethanamine (PubChem CID 157328600) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is methanimidamide;N-methylethanamine.

Molecular Properties

Compound Namemethanimidamide;N-methylethanamine
PubChem CID157328600
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Namemethanimidamide;N-methylethanamine
SMILESCCNC.[H]/N=C/N
InChIInChI=1S/C3H9N.CH4N2/c1-3-4-2;2-1-3/h4H,3H2,1-2H3;1H,(H3,2,3)
InChIKeyBFACMGZODHUEAR-UHFFFAOYSA-N
XLogP-0.22
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
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

methanimidamide;nickel
CID 161496739
lead(2+);methanimidamide;dichloride
CID 175068041
lithium;hydride;methanimidamide
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azane;methanimidamide;hydroiodide
CID 175027178
N-methylethanamine;hydrofluoride
CID 173445578
hafnium;bis(N-methylethanamine)
CID 158490256
(Z)-but-2-ene;N-methylethanamine
CID 171622053
ethane;methanamine;methane;N-methylethanamine
CID 161245277
methanimidamide;N'-methylmethanimidamide
CID 135346702
ethylcyclopentane;methanimidamide
CID 144721337
bis(N-methylethanamine);molybdenum;hydrate
CID 175328548
acetic acid;(13C)methanimidamide
CID 71309360

Frequently Asked Questions

What is the IUPAC name of methanimidamide;N-methylethanamine?
The IUPAC name of methanimidamide;N-methylethanamine (CID 157328600) is methanimidamide;N-methylethanamine.
What is the SMILES notation for methanimidamide;N-methylethanamine?
The canonical SMILES for methanimidamide;N-methylethanamine is CCNC.[H]/N=C/N.
What is the InChIKey of methanimidamide;N-methylethanamine?
The InChIKey is BFACMGZODHUEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH4N2/c1-3-4-2;2-1-3/h4H,3H2,1-2H3;1H,(H3,2,3).
What are the key properties of methanimidamide;N-methylethanamine?
methanimidamide;N-methylethanamine has a molecular weight of 103.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidamide;N-methylethanamine is sourced from PubChem (CID 157328600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).