N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline

C15H21N3O2 — CID 142902799

IUPACN-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline
SMILESC=C(Nc1ccc([N+](=O)[O-])cc1C)C1CCC(N)CC1
InChIInChI=1S/C15H21N3O2/c1-10-9-14(18(19)20)7-8-15(10)17-11(2)12-3-5-13(16)6-4-12/h7-9,12-13,17H,2-6,16H2,1H3
InChIKeyOXZMKASWCVWFGH-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.35
Rot. Bonds4

About N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline

N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline (PubChem CID 142902799) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline
PubChem CID142902799
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline
SMILESC=C(Nc1ccc([N+](=O)[O-])cc1C)C1CCC(N)CC1
InChIInChI=1S/C15H21N3O2/c1-10-9-14(18(19)20)7-8-15(10)17-11(2)12-3-5-13(16)6-4-12/h7-9,12-13,17H,2-6,16H2,1H3
InChIKeyOXZMKASWCVWFGH-UHFFFAOYSA-N
XLogP3.35
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 45097641
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
(2-methyl-4-nitrophenyl)thiourea
CID 3723044
1-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096808
4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
CID 103145443
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 43699406
(2R)-2-amino-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
CID 79011732
4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
CID 66240231
trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline?
The IUPAC name of N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline (CID 142902799) is N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline.
What is the SMILES notation for N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline?
The canonical SMILES for N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline is C=C(Nc1ccc([N+](=O)[O-])cc1C)C1CCC(N)CC1.
What is the InChIKey of N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline?
The InChIKey is OXZMKASWCVWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-14(18(19)20)7-8-15(10)17-11(2)12-3-5-13(16)6-4-12/h7-9,12-13,17H,2-6,16H2,1H3.
What are the key properties of N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline?
N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline has a molecular weight of 275.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline is sourced from PubChem (CID 142902799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).