2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine

C18H28N2O — CID 79907754

IUPAC2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine
SMILESCC1(C)CC(Nc2ccccc2N2CCCC2)C(C)(C)O1
InChIInChI=1S/C18H28N2O/c1-17(2)13-16(18(3,4)21-17)19-14-9-5-6-10-15(14)20-11-7-8-12-20/h5-6,9-10,16,19H,7-8,11-13H2,1-4H3
InChIKeyTWCKVHIOSOLNMP-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.04
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine (PubChem CID 79907754) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine
PubChem CID79907754
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine
SMILESCC1(C)CC(Nc2ccccc2N2CCCC2)C(C)(C)O1
InChIInChI=1S/C18H28N2O/c1-17(2)13-16(18(3,4)21-17)19-14-9-5-6-10-15(14)20-11-7-8-12-20/h5-6,9-10,16,19H,7-8,11-13H2,1-4H3
InChIKeyTWCKVHIOSOLNMP-UHFFFAOYSA-N
XLogP4.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,5-tetramethyl-N-[2-(tetrazol-1-yl)phenyl]oxolan-3-amine
CID 79911434
N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915649
N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915895
1,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 81466711
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
N-(2-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43684279
2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
CID 79911060
4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine
CID 79724003
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
4-ethyl-N-(2-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65084436
1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
CID 43511595
N-(2-piperidin-1-ylphenyl)azepan-4-amine
CID 103980647

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine (CID 79907754) is 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine is CC1(C)CC(Nc2ccccc2N2CCCC2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine?
The InChIKey is TWCKVHIOSOLNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2)13-16(18(3,4)21-17)19-14-9-5-6-10-15(14)20-11-7-8-12-20/h5-6,9-10,16,19H,7-8,11-13H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine has a molecular weight of 288.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(2-pyrrolidin-1-ylphenyl)oxolan-3-amine is sourced from PubChem (CID 79907754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).