ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide

C9H19N3 — CID 163240101

IUPACethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide
SMILESC/C=N/C=N/C.C=CN=C.CC
InChIInChI=1S/C4H8N2.C3H5N.C2H6/c1-3-6-4-5-2;1-3-4-2;1-2/h3-4H,1-2H3;3H,1-2H2;1-2H3/b5-4+,6-3+;;
InChIKeyIWFSWKKVKGVWCQ-SSEJERJKSA-N
MW169.27 g/mol
LogP2.59
Rot. Bonds2

About ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide

ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide (PubChem CID 163240101) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide.

Molecular Properties

Compound Nameethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide
PubChem CID163240101
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide
SMILESC/C=N/C=N/C.C=CN=C.CC
InChIInChI=1S/C4H8N2.C3H5N.C2H6/c1-3-6-4-5-2;1-3-4-2;1-2/h3-4H,1-2H3;3H,1-2H2;1-2H3/b5-4+,6-3+;;
InChIKeyIWFSWKKVKGVWCQ-SSEJERJKSA-N
XLogP2.59
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
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

ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
CID 143343721
N'-ethenyl-N-ethylidene-2,2-dimethylpropanimidamide
CID 88949136
N'-ethenyl-N-ethylideneethanimidamide
CID 117650339
2-Ethenyl-1-ethylideneguanidine
CID 123718610
N'-ethenyl-N-propylidenemethanimidamide
CID 129142748
N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide
CID 129239004
N'-ethenyl-N-[(ethylideneamino)methylidene]methanimidamide
CID 129288737
N,N-bis(ethenyl)-N'-methyl-2-methyliminoethanimidamide
CID 130247457
ethane;N-ethylidene-N'-[(Z)-prop-1-enyl]methanimidamide
CID 141789034
ethane;N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 141827139
N'-ethenyl-N-pentylidenemethanimidamide
CID 141884578
N'-ethenyl-N-methylideneethanimidamide
CID 141943187

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide?
The IUPAC name of ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide (CID 163240101) is ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide.
What is the SMILES notation for ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide?
The canonical SMILES for ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide is C/C=N/C=N/C.C=CN=C.CC.
What is the InChIKey of ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide?
The InChIKey is IWFSWKKVKGVWCQ-SSEJERJKSA-N. The full InChI is InChI=1S/C4H8N2.C3H5N.C2H6/c1-3-6-4-5-2;1-3-4-2;1-2/h3-4H,1-2H3;3H,1-2H2;1-2H3/b5-4+,6-3+;;.
What are the key properties of ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide?
ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylmethanimine;N-ethylidene-N'-methylmethanimidamide is sourced from PubChem (CID 163240101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).