N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine

C17H33NO — CID 81391451

IUPACN-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESC[C@H](NC1CC(C)(C)OC1(C)C)C1CCCCCC1
InChIInChI=1S/C17H33NO/c1-13(14-10-8-6-7-9-11-14)18-15-12-16(2,3)19-17(15,4)5/h13-15,18H,6-12H2,1-5H3/t13-,15?/m0/s1
InChIKeyDGGIQOHCBWVLIM-CFMCSPIPSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds3

About N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 81391451) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID81391451
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESC[C@H](NC1CC(C)(C)OC1(C)C)C1CCCCCC1
InChIInChI=1S/C17H33NO/c1-13(14-10-8-6-7-9-11-14)18-15-12-16(2,3)19-17(15,4)5/h13-15,18H,6-12H2,1-5H3/t13-,15?/m0/s1
InChIKeyDGGIQOHCBWVLIM-CFMCSPIPSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5,5-tetramethyl-N-[1-(oxan-4-yl)ethyl]oxolan-3-amine
CID 113262765
3-[[(1R)-1-cyclopentylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 103948487
N-[(1S)-1-cyclohexylethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961036
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclopentylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359064
cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623154
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[(1S)-1-cyclohexylethyl]oxetan-3-amine
CID 81388066
N-[(1S)-1-cyclohexylethyl]-4,4-dimethylthian-3-amine
CID 81387257
N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 79916589
N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114622881

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 81391451) is N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine is C[C@H](NC1CC(C)(C)OC1(C)C)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is DGGIQOHCBWVLIM-CFMCSPIPSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(14-10-8-6-7-9-11-14)18-15-12-16(2,3)19-17(15,4)5/h13-15,18H,6-12H2,1-5H3/t13-,15?/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 267.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 81391451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).