N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine

C10H20N4O2 — CID 171984814

IUPACN,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine
SMILESCCN(CC)CCN1CCNC1=C[N+](=O)[O-]
InChIInChI=1S/C10H20N4O2/c1-3-12(4-2)7-8-13-6-5-11-10(13)9-14(15)16/h9,11H,3-8H2,1-2H3
InChIKeyUHYYIMGPADUMEU-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.31
Rot. Bonds6

About N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine

N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine (PubChem CID 171984814) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine
PubChem CID171984814
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine
SMILESCCN(CC)CCN1CCNC1=C[N+](=O)[O-]
InChIInChI=1S/C10H20N4O2/c1-3-12(4-2)7-8-13-6-5-11-10(13)9-14(15)16/h9,11H,3-8H2,1-2H3
InChIKeyUHYYIMGPADUMEU-UHFFFAOYSA-N
XLogP0.31
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.31
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine (CID 171984814) is N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine is CCN(CC)CCN1CCNC1=C[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine?
The InChIKey is UHYYIMGPADUMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-12(4-2)7-8-13-6-5-11-10(13)9-14(15)16/h9,11H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine?
N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine has a molecular weight of 228.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(nitromethylidene)imidazolidin-1-yl]ethanamine is sourced from PubChem (CID 171984814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).