N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine

C12H19N3O2 — CID 62476877

IUPACN-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
SMILESCCCC(CC)Nc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H19N3O2/c1-4-6-10(5-2)14-12-9(3)7-11(8-13-12)15(16)17/h7-8,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyOQHFRZGDMPTFMN-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.29
Rot. Bonds6

About N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine

N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine (PubChem CID 62476877) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
PubChem CID62476877
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
SMILESCCCC(CC)Nc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H19N3O2/c1-4-6-10(5-2)14-12-9(3)7-11(8-13-12)15(16)17/h7-8,10H,4-6H2,1-3H3,(H,13,14)
InChIKeyOQHFRZGDMPTFMN-UHFFFAOYSA-N
XLogP3.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.29
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

5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
5-nitro-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 60678708
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046856
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568
N-(3,3-dimethylbutan-2-yl)-3-methyl-5-nitropyridin-2-amine
CID 113457884
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
2-[[(3-methyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226438
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 62477233
1-N,1-N,3-trimethyl-2-N-(3-methyl-5-nitro-2-pyridinyl)butane-1,2-diamine
CID 55080504
3-methyl-5-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 62477893
N-hexan-3-yl-2,4-dinitroaniline
CID 62045431

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine (CID 62476877) is N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine is CCCC(CC)Nc1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine?
The InChIKey is OQHFRZGDMPTFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-6-10(5-2)14-12-9(3)7-11(8-13-12)15(16)17/h7-8,10H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine?
N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 62476877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).