4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine

C16H24N2O2 — CID 65420963

IUPAC4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)(CCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-15(2)9-11-16(17,12-10-15)8-7-13-3-5-14(6-4-13)18(19)20/h3-6H,7-12,17H2,1-2H3
InChIKeyRJNNSMDCNZYTLA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.83
Rot. Bonds4

About 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine

4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine (PubChem CID 65420963) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
PubChem CID65420963
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)(CCc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-15(2)9-11-16(17,12-10-15)8-7-13-3-5-14(6-4-13)18(19)20/h3-6H,7-12,17H2,1-2H3
InChIKeyRJNNSMDCNZYTLA-UHFFFAOYSA-N
XLogP3.83
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.83
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-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65420529
3-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420937
[4-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexyl]methanamine
CID 65393433
1-[(4-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 65421598
3-methyl-1-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 65420076
2-[2-(4-nitrophenyl)ethyl]thiolane-2-carbonitrile
CID 83174283
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
ethane;1-nitro-4-propylbenzene
CID 123575523
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
1-(2-ethylsulfonylethyl)-4-nitrobenzene
CID 147385511
1-[2-[4-(methoxymethyl)phenyl]ethyl]cyclopropan-1-amine
CID 105457986
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine (CID 65420963) is 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine is CC1(C)CCC(N)(CCc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is RJNNSMDCNZYTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2)9-11-16(17,12-10-15)8-7-13-3-5-14(6-4-13)18(19)20/h3-6H,7-12,17H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine?
4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 65420963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).