1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine

C5H11N3O3 — CID 141318868

IUPAC1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine
SMILESCCN(OC)C(N)=C[N+](=O)[O-]
InChIInChI=1S/C5H11N3O3/c1-3-7(11-2)5(6)4-8(9)10/h4H,3,6H2,1-2H3
InChIKeyVFZNFOCDWWPDJK-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.10
Rot. Bonds4

About 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine

1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine (PubChem CID 141318868) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine
PubChem CID141318868
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine
SMILESCCN(OC)C(N)=C[N+](=O)[O-]
InChIInChI=1S/C5H11N3O3/c1-3-7(11-2)5(6)4-8(9)10/h4H,3,6H2,1-2H3
InChIKeyVFZNFOCDWWPDJK-UHFFFAOYSA-N
XLogP-0.10
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-2-nitroethenol
CID 58981274
ethyl(methoxy)carbamic acid
CID 20532492
methyl N-ethyl-N-methoxycarbamate
CID 142794399
ethyl(methoxy)carbamothioic S-acid
CID 148919779
ethyl (E)-2-cyano-3-nitroprop-2-enoate
CID 21234990
1-N'-[[4-(aminomethyl)phenyl]methyl]-2-nitro-1-N'-propylethene-1,1-diamine
CID 141141800
(Z)-2-dimethoxyphosphoryl-1-nitrobut-1-ene
CID 23268065
1-nitrobut-1-ene-2-thiol
CID 175323961
2,3-dimethyl-1,4-dinitrobuta-1,3-diene
CID 71423642
1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 59896622
1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine
CID 174278087
methyl nitrate
CID 11724

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine (CID 141318868) is 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine is CCN(OC)C(N)=C[N+](=O)[O-].
What is the InChIKey of 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine?
The InChIKey is VFZNFOCDWWPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-3-7(11-2)5(6)4-8(9)10/h4H,3,6H2,1-2H3.
What are the key properties of 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine?
1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine has a molecular weight of 161.16 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N'-methoxy-2-nitroethene-1,1-diamine is sourced from PubChem (CID 141318868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).