N-(2-cyclohexylethyl)-1-nitropropan-2-imine

C11H20N2O2 — CID 90831723

IUPACN-(2-cyclohexylethyl)-1-nitropropan-2-imine
SMILESC/C(C[N+](=O)[O-])=N\CCC1CCCCC1
InChIInChI=1S/C11H20N2O2/c1-10(9-13(14)15)12-8-7-11-5-3-2-4-6-11/h11H,2-9H2,1H3/b12-10+
InChIKeySPYDGJVPIWUSCR-ZRDIBKRKSA-N
MW212.29 g/mol
LogP2.69
Rot. Bonds5

About N-(2-cyclohexylethyl)-1-nitropropan-2-imine

N-(2-cyclohexylethyl)-1-nitropropan-2-imine (PubChem CID 90831723) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-nitropropan-2-imine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-nitropropan-2-imine
PubChem CID90831723
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-cyclohexylethyl)-1-nitropropan-2-imine
SMILESC/C(C[N+](=O)[O-])=N\CCC1CCCCC1
InChIInChI=1S/C11H20N2O2/c1-10(9-13(14)15)12-8-7-11-5-3-2-4-6-11/h11H,2-9H2,1H3/b12-10+
InChIKeySPYDGJVPIWUSCR-ZRDIBKRKSA-N
XLogP2.69
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyclohexylethyl)ethanimidamide
CID 63173186
2-nitroethylcyclohexane
CID 11126523
2-cyclohexylethyl nitrate
CID 57206910
2-nitrosoethylcyclooctane
CID 129141307
2-nitrosoethylcyclotridecane
CID 138619052
nitromethylcycloheptane
CID 15584171
2-(2-cyclopentylethyl)guanidine;sulfuric acid
CID 70610443
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-nitroethane
CID 67698310
N'-(2-cyclopentylethyl)cyclopropanecarboximidamide
CID 63175622
1-tert-butyl-2-(2-cyclopentylethyl)guanidine
CID 62363522
N-(2-cyclohexylethyl)-1-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]propan-2-imine
CID 57171930
O-(2-cyclohexylethyl) ethanethioate
CID 101381755

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-nitropropan-2-imine?
The IUPAC name of N-(2-cyclohexylethyl)-1-nitropropan-2-imine (CID 90831723) is N-(2-cyclohexylethyl)-1-nitropropan-2-imine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-nitropropan-2-imine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-nitropropan-2-imine is C/C(C[N+](=O)[O-])=N\CCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-nitropropan-2-imine?
The InChIKey is SPYDGJVPIWUSCR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(9-13(14)15)12-8-7-11-5-3-2-4-6-11/h11H,2-9H2,1H3/b12-10+.
What are the key properties of N-(2-cyclohexylethyl)-1-nitropropan-2-imine?
N-(2-cyclohexylethyl)-1-nitropropan-2-imine has a molecular weight of 212.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-nitropropan-2-imine is sourced from PubChem (CID 90831723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).