N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine

C15H23N3O3 — CID 133339782

IUPACN-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NCC2CCOC2C(C)(C)C)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-10-7-13(17-9-12(10)18(19)20)16-8-11-5-6-21-14(11)15(2,3)4/h7,9,11,14H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyGJBGSDRTGMMTIC-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.16
Rot. Bonds4

About N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine

N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133339782) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133339782
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NCC2CCOC2C(C)(C)C)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-10-7-13(17-9-12(10)18(19)20)16-8-11-5-6-21-14(11)15(2,3)4/h7,9,11,14H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyGJBGSDRTGMMTIC-UHFFFAOYSA-N
XLogP3.16
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79173840
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 115669034
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
N-[(2-tert-butyloxan-3-yl)methyl]-5-nitropyridin-2-amine
CID 133308946
N-[(2-tert-butyloxan-3-yl)methyl]-3-methyl-5-nitropyridin-2-amine
CID 133308990
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342954
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine (CID 133339782) is N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine is Cc1cc(NCC2CCOC2C(C)(C)C)ncc1[N+](=O)[O-].
What is the InChIKey of N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is GJBGSDRTGMMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-7-13(17-9-12(10)18(19)20)16-8-11-5-6-21-14(11)15(2,3)4/h7,9,11,14H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine?
N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133339782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).