2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine

C18H29NO — CID 79916834

IUPAC2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
SMILESCC(C)C(NC1CC(C)(C)OC1(C)C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-13(2)16(14-10-8-7-9-11-14)19-15-12-17(3,4)20-18(15,5)6/h7-11,13,15-16,19H,12H2,1-6H3
InChIKeyKNVCHNCEMQDPEU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine

2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine (PubChem CID 79916834) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
PubChem CID79916834
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
SMILESCC(C)C(NC1CC(C)(C)OC1(C)C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-13(2)16(14-10-8-7-9-11-14)19-15-12-17(3,4)20-18(15,5)6/h7-11,13,15-16,19H,12H2,1-6H3
InChIKeyKNVCHNCEMQDPEU-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81377263
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81383331
2,2,5,5-tetramethyl-N-(1-thiophen-2-ylethyl)oxolan-3-amine
CID 79917629
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81352114
N-methyl-3-[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]benzenesulfonamide
CID 75427832
(1R,4S)-1,3,3-trimethyl-N-(2-methyl-1-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400500
1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
CID 80559993
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
CID 107876110
1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 114624185
N-(2-bromophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915649
2,2,5,5-tetramethyl-N-(naphthalen-1-ylmethyl)oxolan-3-amine
CID 79911054

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine (CID 79916834) is 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine is CC(C)C(NC1CC(C)(C)OC1(C)C)c1ccccc1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine?
The InChIKey is KNVCHNCEMQDPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)16(14-10-8-7-9-11-14)19-15-12-17(3,4)20-18(15,5)6/h7-11,13,15-16,19H,12H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine?
2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine has a molecular weight of 275.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine is sourced from PubChem (CID 79916834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).