N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline

C13H18N2O3 — CID 62589032

IUPACN-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
SMILESCOC1CCCC1Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C13H18N2O3/c1-9-6-7-10(15(16)17)8-12(9)14-11-4-3-5-13(11)18-2/h6-8,11,13-14H,3-5H2,1-2H3
InChIKeyNPTYLRJHMZINQG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.88
Rot. Bonds4

About N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline

N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline (PubChem CID 62589032) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
PubChem CID62589032
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
SMILESCOC1CCCC1Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C13H18N2O3/c1-9-6-7-10(15(16)17)8-12(9)14-11-4-3-5-13(11)18-2/h6-8,11,13-14H,3-5H2,1-2H3
InChIKeyNPTYLRJHMZINQG-UHFFFAOYSA-N
XLogP2.88
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
CID 103591652
1-N-(2-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458653
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 62086414
3-methyl-N-(2-methyl-5-nitrophenyl)oxan-4-amine
CID 114240471
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
CID 62086600
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
CID 62087311
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline?
The IUPAC name of N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline (CID 62589032) is N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline.
What is the SMILES notation for N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline?
The canonical SMILES for N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline is COC1CCCC1Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline?
The InChIKey is NPTYLRJHMZINQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-7-10(15(16)17)8-12(9)14-11-4-3-5-13(11)18-2/h6-8,11,13-14H,3-5H2,1-2H3.
What are the key properties of N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline?
N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline has a molecular weight of 250.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline is sourced from PubChem (CID 62589032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).