2-nitro-N-(3-propan-2-ylcyclohexyl)aniline

C15H22N2O2 — CID 107448138

IUPAC2-nitro-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H22N2O2/c1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15(14)17(18)19/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3
InChIKeyRBYOPRVQPRGWPD-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.22
Rot. Bonds4

About 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline

2-nitro-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107448138) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-nitro-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107448138
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-nitro-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCCC(Nc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H22N2O2/c1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15(14)17(18)19/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3
InChIKeyRBYOPRVQPRGWPD-UHFFFAOYSA-N
XLogP4.22
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.22
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

N-(3-methylsulfanylcyclohexyl)-2-nitroaniline
CID 113237756
N-(2-nitrophenyl)bicyclo[3.3.1]nonan-3-amine
CID 58349732
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447813
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222290
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
3-methyl-4-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448438
N-(4-methoxycyclohexyl)-2-nitroaniline
CID 113414363
N-(3-methoxycyclobutyl)-2-nitroaniline
CID 104576705
N-(2-nitrophenyl)-1,1-dioxothian-4-amine
CID 43615402
N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 43078427
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
1-N,3-N-bis(2,4-dinitrophenyl)cyclohexane-1,3-diamine
CID 155539944

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline (CID 107448138) is 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline is CC(C)C1CCCC(Nc2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is RBYOPRVQPRGWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)12-6-5-7-13(10-12)16-14-8-3-4-9-15(14)17(18)19/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3.
What are the key properties of 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline?
2-nitro-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 262.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107448138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).