N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine

C14H21N3O2 — CID 104540743

IUPACN-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine
SMILESCC1CCC(CCNc2cccnc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H21N3O2/c1-11-4-6-12(7-5-11)8-10-15-13-3-2-9-16-14(13)17(18)19/h2-3,9,11-12,15H,4-8,10H2,1H3
InChIKeyVWJSWJMYYKFPJT-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine

N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine (PubChem CID 104540743) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine
PubChem CID104540743
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine
SMILESCC1CCC(CCNc2cccnc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H21N3O2/c1-11-4-6-12(7-5-11)8-10-15-13-3-2-9-16-14(13)17(18)19/h2-3,9,11-12,15H,4-8,10H2,1H3
InChIKeyVWJSWJMYYKFPJT-UHFFFAOYSA-N
XLogP3.62
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.62
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-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115628495
2-nitro-N-pent-4-ynylpyridin-3-amine
CID 103704442
N-(2-cyclopropylethyl)-3-methyl-2-nitroaniline
CID 102605217
N-(3,5-dimethylcyclohexyl)-2-nitropyridin-3-amine
CID 112692570
N-[2-(2-methylphenyl)ethyl]-2-nitropyridin-3-amine
CID 115585466
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine
CID 113224848
2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 112685108
N-methyl-2-nitropyridin-3-amine
CID 555983

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine?
The IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine (CID 104540743) is N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine?
The canonical SMILES for N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine is CC1CCC(CCNc2cccnc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine?
The InChIKey is VWJSWJMYYKFPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-4-6-12(7-5-11)8-10-15-13-3-2-9-16-14(13)17(18)19/h2-3,9,11-12,15H,4-8,10H2,1H3.
What are the key properties of N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine?
N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine is sourced from PubChem (CID 104540743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).