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

C18H35NO — CID 107191420

IUPACN-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCC1(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H35NO/c1-8-19-15(13-10-9-11-16(13,2)3)14-12-17(4,5)20-18(14,6)7/h13-15,19H,8-12H2,1-7H3
InChIKeyZHNRQVGJGKLWNP-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.38
Rot. Bonds4

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

N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (PubChem CID 107191420) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
PubChem CID107191420
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCC1(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H35NO/c1-8-19-15(13-10-9-11-16(13,2)3)14-12-17(4,5)20-18(14,6)7/h13-15,19H,8-12H2,1-7H3
InChIKeyZHNRQVGJGKLWNP-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (CID 107191420) is N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is CCNC(C1CCCC1(C)C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is ZHNRQVGJGKLWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-8-19-15(13-10-9-11-16(13,2)3)14-12-17(4,5)20-18(14,6)7/h13-15,19H,8-12H2,1-7H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 281.48 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107191420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).