4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline

C15H22N2O2 — CID 79362731

IUPAC4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline
SMILESCc1ccc(NCC2C(C)(C)C2(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O2/c1-10-6-7-11(8-12(10)17(18)19)16-9-13-14(2,3)15(13,4)5/h6-8,13,16H,9H2,1-5H3
InChIKeyALUXTDJTPHISHC-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.00
Rot. Bonds4

About 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline

4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline (PubChem CID 79362731) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline
PubChem CID79362731
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline
SMILESCc1ccc(NCC2C(C)(C)C2(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O2/c1-10-6-7-11(8-12(10)17(18)19)16-9-13-14(2,3)15(13,4)5/h6-8,13,16H,9H2,1-5H3
InChIKeyALUXTDJTPHISHC-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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-nitro-1-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,3-diamine
CID 106749442
3-ethoxy-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline
CID 79359787
4-[(4-methyl-3-nitroanilino)methyl]cyclohexan-1-ol
CID 106130779
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-nitroaniline
CID 82834000
N'-(4-methyl-3-nitrophenyl)-N-propylethane-1,2-diamine
CID 62911112
N-[3-(4-methyl-3-nitroanilino)propyl]methanesulfonamide
CID 106337440
4-methyl-3-nitro-N-(oxan-3-ylmethyl)aniline
CID 62910554
1-N-(4-methyl-3-nitrophenyl)butane-1,3-diamine
CID 63251626
4-methyl-3-nitro-N-pent-3-ynylaniline
CID 116644459
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-nitroaniline
CID 62912118
4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitroaniline
CID 43785550
N,N'-bis(3-methyl-4-nitrophenyl)propane-1,3-diamine
CID 58611252

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline?
The IUPAC name of 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline (CID 79362731) is 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline.
What is the SMILES notation for 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline?
The canonical SMILES for 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline is Cc1ccc(NCC2C(C)(C)C2(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline?
The InChIKey is ALUXTDJTPHISHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-7-11(8-12(10)17(18)19)16-9-13-14(2,3)15(13,4)5/h6-8,13,16H,9H2,1-5H3.
What are the key properties of 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline?
4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline has a molecular weight of 262.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]aniline is sourced from PubChem (CID 79362731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).