N-cyclopentyl-2-methyl-4-nitroaniline

C12H16N2O2 — CID 3683454

IUPACN-cyclopentyl-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCC1
InChIInChI=1S/C12H16N2O2/c1-9-8-11(14(15)16)6-7-12(9)13-10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3
InChIKeyRVTQLMQWRGQKAH-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.26
Rot. Bonds3

About N-cyclopentyl-2-methyl-4-nitroaniline

N-cyclopentyl-2-methyl-4-nitroaniline (PubChem CID 3683454) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-4-nitroaniline
PubChem CID3683454
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-cyclopentyl-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCC1
InChIInChI=1S/C12H16N2O2/c1-9-8-11(14(15)16)6-7-12(9)13-10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3
InChIKeyRVTQLMQWRGQKAH-UHFFFAOYSA-N
XLogP3.26
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.26
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-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
N-(4-tert-butylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719899
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
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
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
N-(2,2-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 79828651
1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 133348599

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-4-nitroaniline?
The IUPAC name of N-cyclopentyl-2-methyl-4-nitroaniline (CID 3683454) is N-cyclopentyl-2-methyl-4-nitroaniline.
What is the SMILES notation for N-cyclopentyl-2-methyl-4-nitroaniline?
The canonical SMILES for N-cyclopentyl-2-methyl-4-nitroaniline is Cc1cc([N+](=O)[O-])ccc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-4-nitroaniline?
The InChIKey is RVTQLMQWRGQKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-8-11(14(15)16)6-7-12(9)13-10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-2-methyl-4-nitroaniline?
N-cyclopentyl-2-methyl-4-nitroaniline has a molecular weight of 220.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-4-nitroaniline is sourced from PubChem (CID 3683454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).