2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine

C16H24N2O3 — CID 104927068

IUPAC2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine
SMILESCc1c(CNC2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-11-12(7-6-8-13(11)18(19)20)10-17-14-9-15(2,3)21-16(14,4)5/h6-8,14,17H,9-10H2,1-5H3
InChIKeyPJABANPTTCBYHS-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.34
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine (PubChem CID 104927068) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine
PubChem CID104927068
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine
SMILESCc1c(CNC2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-11-12(7-6-8-13(11)18(19)20)10-17-14-9-15(2,3)21-16(14,4)5/h6-8,14,17H,9-10H2,1-5H3
InChIKeyPJABANPTTCBYHS-UHFFFAOYSA-N
XLogP3.34
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.34
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

2,2-dimethyl-3-[(2-methyl-3-nitrophenyl)methylamino]cyclobutan-1-ol
CID 114629537
2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 79928053
2,4,4-trimethyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 103114591
2,2,5,5-tetramethyl-N-(naphthalen-1-ylmethyl)oxolan-3-amine
CID 79911054
4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 43508989
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
4-[(2-methyl-3-nitrophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 103114941
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
3-methoxy-2,2-dimethyl-N-[(2-nitrophenyl)methyl]cyclobutan-1-amine
CID 103743244
N-[(2-methyl-3-nitrophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 103114597

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine (CID 104927068) is 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine is Cc1c(CNC2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-].
What is the InChIKey of 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine?
The InChIKey is PJABANPTTCBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-12(7-6-8-13(11)18(19)20)10-17-14-9-15(2,3)21-16(14,4)5/h6-8,14,17H,9-10H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine has a molecular weight of 292.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 104927068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).