N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine

C17H33NO — CID 114622881

IUPACN-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H33NO/c1-6-18-15(13-10-8-7-9-11-13)14-12-16(2,3)19-17(14,4)5/h13-15,18H,6-12H2,1-5H3
InChIKeyTVVHMHINHSMFQD-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds4

About N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine

N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (PubChem CID 114622881) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
PubChem CID114622881
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H33NO/c1-6-18-15(13-10-8-7-9-11-13)14-12-16(2,3)19-17(14,4)5/h13-15,18H,6-12H2,1-5H3
InChIKeyTVVHMHINHSMFQD-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 107191420
N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623182
cycloheptyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623154
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622899
N-[cyclopentyl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115779057
N-methyl-1-(4-propylcyclohexyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623159
N-[cyclobutyl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105049594
N-ethyl-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622837
N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine
CID 114981006
N-[cyclohexyl-(2-methylcyclopropyl)methyl]ethanamine
CID 65420198
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623518

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (CID 114622881) is N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is CCNC(C1CCCCC1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is TVVHMHINHSMFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-18-15(13-10-8-7-9-11-13)14-12-16(2,3)19-17(14,4)5/h13-15,18H,6-12H2,1-5H3.
What are the key properties of N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 114622881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).