N-(2-methyl-2-nitropropyl)cyclohexanamine

C10H20N2O2 — CID 3056669

IUPACN-(2-methyl-2-nitropropyl)cyclohexanamine
SMILESCC(C)(CNC1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C10H20N2O2/c1-10(2,12(13)14)8-11-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3
InChIKeyZDVUJVMRWXEEPN-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.96
Rot. Bonds4

About N-(2-methyl-2-nitropropyl)cyclohexanamine

N-(2-methyl-2-nitropropyl)cyclohexanamine (PubChem CID 3056669) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(2-methyl-2-nitropropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-methyl-2-nitropropyl)cyclohexanamine
PubChem CID3056669
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(2-methyl-2-nitropropyl)cyclohexanamine
SMILESCC(C)(CNC1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C10H20N2O2/c1-10(2,12(13)14)8-11-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3
InChIKeyZDVUJVMRWXEEPN-UHFFFAOYSA-N
XLogP1.96
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methyl-2-nitropropyl)cyclohexanamine?
The IUPAC name of N-(2-methyl-2-nitropropyl)cyclohexanamine (CID 3056669) is N-(2-methyl-2-nitropropyl)cyclohexanamine.
What is the SMILES notation for N-(2-methyl-2-nitropropyl)cyclohexanamine?
The canonical SMILES for N-(2-methyl-2-nitropropyl)cyclohexanamine is CC(C)(CNC1CCCCC1)[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-2-nitropropyl)cyclohexanamine?
The InChIKey is ZDVUJVMRWXEEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,12(13)14)8-11-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(2-methyl-2-nitropropyl)cyclohexanamine?
N-(2-methyl-2-nitropropyl)cyclohexanamine has a molecular weight of 200.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-nitropropyl)cyclohexanamine is sourced from PubChem (CID 3056669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).