4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine

C15H22N2O2 — CID 65420529

IUPAC4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-14(2)7-9-15(16,10-8-14)11-12-3-5-13(6-4-12)17(18)19/h3-6H,7-11,16H2,1-2H3
InChIKeyQOPUIPJJQCJXSJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.43
Rot. Bonds3

About 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine

4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine (PubChem CID 65420529) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
PubChem CID65420529
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)(Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-14(2)7-9-15(16,10-8-14)11-12-3-5-13(6-4-12)17(18)19/h3-6H,7-11,16H2,1-2H3
InChIKeyQOPUIPJJQCJXSJ-UHFFFAOYSA-N
XLogP3.43
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.43
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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Related Compounds

4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420963
1-[(4-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 65421598
3-methyl-1-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 65420076
3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65422470
2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine
CID 65421595
2-methyl-2-[(4-nitrophenyl)methyl]-1,3-dioxolane
CID 14086865
azane;1-ethyl-4-nitrobenzene
CID 19043225
1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406090
3-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420937
4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine
CID 65419636
2-[(4-nitrophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65421392
4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
CID 80693061

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine (CID 65420529) is 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine is CC1(C)CCC(N)(Cc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine?
The InChIKey is QOPUIPJJQCJXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2)7-9-15(16,10-8-14)11-12-3-5-13(6-4-12)17(18)19/h3-6H,7-11,16H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine?
4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65420529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).