N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine

C13H19N3O2 — CID 55175056

IUPACN-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
SMILESCC1CCC(CNc2cc([N+](=O)[O-])ccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-10-2-4-11(5-3-10)9-15-13-8-12(16(17)18)6-7-14-13/h6-8,10-11H,2-5,9H2,1H3,(H,14,15)
InChIKeyOEIBWVFLMUGNTO-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.23
Rot. Bonds4

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

N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine (PubChem CID 55175056) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
PubChem CID55175056
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
SMILESCC1CCC(CNc2cc([N+](=O)[O-])ccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-10-2-4-11(5-3-10)9-15-13-8-12(16(17)18)6-7-14-13/h6-8,10-11H,2-5,9H2,1H3,(H,14,15)
InChIKeyOEIBWVFLMUGNTO-UHFFFAOYSA-N
XLogP3.23
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.23
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-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
CID 107413743
3-[[(4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114147342
N-[(4-methylcyclohexyl)methyl]-5-nitropyrimidin-2-amine
CID 63243364
2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline
CID 55224775
N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62979922
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine
CID 90921952
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738
N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine
CID 107414046
N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine
CID 79563520
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
3-fluoro-N-[(4-methylcyclohexyl)methyl]-5-nitroaniline
CID 55224773

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine (CID 55175056) is N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine is CC1CCC(CNc2cc([N+](=O)[O-])ccn2)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine?
The InChIKey is OEIBWVFLMUGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-2-4-11(5-3-10)9-15-13-8-12(16(17)18)6-7-14-13/h6-8,10-11H,2-5,9H2,1H3,(H,14,15).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine?
N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 55175056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).