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

C15H22N2O3 — CID 79928053

IUPAC2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
SMILESCC1(C)CC(NCc2cccc([N+](=O)[O-])c2)C(C)(C)O1
InChIInChI=1S/C15H22N2O3/c1-14(2)9-13(15(3,4)20-14)16-10-11-6-5-7-12(8-11)17(18)19/h5-8,13,16H,9-10H2,1-4H3
InChIKeyQZWXNWVRRKLMID-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.03
Rot. Bonds4

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

2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine (PubChem CID 79928053) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
PubChem CID79928053
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
SMILESCC1(C)CC(NCc2cccc([N+](=O)[O-])c2)C(C)(C)O1
InChIInChI=1S/C15H22N2O3/c1-14(2)9-13(15(3,4)20-14)16-10-11-6-5-7-12(8-11)17(18)19/h5-8,13,16H,9-10H2,1-4H3
InChIKeyQZWXNWVRRKLMID-UHFFFAOYSA-N
XLogP3.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.03
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

4,4-dimethyl-N-[(3-nitrophenyl)methyl]thian-3-amine
CID 79948620
1-N,2-N-bis[(3-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040610
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
2-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62367003
N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine
CID 103753070
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 103864594
(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
CID 97102338
N-[(3-nitrophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434614
5-nitro-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzonitrile
CID 79912062
N-[(3-nitrophenyl)methyl]cyclohexanamine;oxalic acid
CID 17367766
4-[(3-nitrophenyl)methylamino]pyrrolidin-2-one
CID 114155136

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine (CID 79928053) is 2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine is CC1(C)CC(NCc2cccc([N+](=O)[O-])c2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine?
The InChIKey is QZWXNWVRRKLMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2)9-13(15(3,4)20-14)16-10-11-6-5-7-12(8-11)17(18)19/h5-8,13,16H,9-10H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine has a molecular weight of 278.35 g/mol, XLogP of 3.03, 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-[(3-nitrophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 79928053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).