N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine

C15H20N2O2 — CID 165485999

IUPACN,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine
SMILESCN(C)C1(C)CC=C(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H20N2O2/c1-15(16(2)3)10-8-13(9-11-15)12-4-6-14(7-5-12)17(18)19/h4-8H,9-11H2,1-3H3
InChIKeyNLLNUTZVWJUKKL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.48
Rot. Bonds3

About N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine

N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine (PubChem CID 165485999) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine
PubChem CID165485999
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine
SMILESCN(C)C1(C)CC=C(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H20N2O2/c1-15(16(2)3)10-8-13(9-11-15)12-4-6-14(7-5-12)17(18)19/h4-8H,9-11H2,1-3H3
InChIKeyNLLNUTZVWJUKKL-UHFFFAOYSA-N
XLogP3.48
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
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-methyl-N-(1-methylcyclohexyl)-4-nitroaniline
CID 126549261
4-(3-fluoro-4-nitrophenyl)-1-methylcyclohex-3-en-1-amine
CID 165487745
N,N,4-trimethyl-1-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 126830526
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
3-(4-nitrophenyl)-2H-furan-5-one
CID 13029246
1-methyl-4-(6-nitro-1H-indol-3-yl)cyclohex-3-en-1-amine
CID 69095871
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine?
The IUPAC name of N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine (CID 165485999) is N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine.
What is the SMILES notation for N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine?
The canonical SMILES for N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine is CN(C)C1(C)CC=C(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine?
The InChIKey is NLLNUTZVWJUKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(16(2)3)10-8-13(9-11-15)12-4-6-14(7-5-12)17(18)19/h4-8H,9-11H2,1-3H3.
What are the key properties of N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine?
N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine has a molecular weight of 260.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-(4-nitrophenyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 165485999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).