(E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine

C15H25N5O2 — CID 25054182

IUPAC(E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine
SMILESCc1cncn1CCCN/C(=C\[N+](=O)[O-])NC1CCCCC1
InChIInChI=1S/C15H25N5O2/c1-13-10-16-12-19(13)9-5-8-17-15(11-20(21)22)18-14-6-3-2-4-7-14/h10-12,14,17-18H,2-9H2,1H3/b15-11+
InChIKeyZOWJSWANGDEHQV-RVDMUPIBSA-N
MW307.40 g/mol
LogP2.17
Rot. Bonds8

About (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine

(E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine (PubChem CID 25054182) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine
PubChem CID25054182
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine
SMILESCc1cncn1CCCN/C(=C\[N+](=O)[O-])NC1CCCCC1
InChIInChI=1S/C15H25N5O2/c1-13-10-16-12-19(13)9-5-8-17-15(11-20(21)22)18-14-6-3-2-4-7-14/h10-12,14,17-18H,2-9H2,1H3/b15-11+
InChIKeyZOWJSWANGDEHQV-RVDMUPIBSA-N
XLogP2.17
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine?
The IUPAC name of (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine (CID 25054182) is (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine.
What is the SMILES notation for (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine?
The canonical SMILES for (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine is Cc1cncn1CCCN/C(=C\[N+](=O)[O-])NC1CCCCC1.
What is the InChIKey of (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine?
The InChIKey is ZOWJSWANGDEHQV-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-13-10-16-12-19(13)9-5-8-17-15(11-20(21)22)18-14-6-3-2-4-7-14/h10-12,14,17-18H,2-9H2,1H3/b15-11+.
What are the key properties of (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine?
(E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine has a molecular weight of 307.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N'-cyclohexyl-1-N-[3-(5-methylimidazol-1-yl)propyl]-2-nitroethene-1,1-diamine is sourced from PubChem (CID 25054182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).