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

C15H29NO — CID 114623182

IUPACN-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CC1C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO/c1-7-16-13(11-8-10(11)2)12-9-14(3,4)17-15(12,5)6/h10-13,16H,7-9H2,1-6H3
InChIKeyLGRQMIZRBVLSTQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.21
Rot. Bonds4

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

N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (PubChem CID 114623182) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
PubChem CID114623182
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CC1C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO/c1-7-16-13(11-8-10(11)2)12-9-14(3,4)17-15(12,5)6/h10-13,16H,7-9H2,1-6H3
InChIKeyLGRQMIZRBVLSTQ-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine (CID 114623182) is N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is CCNC(C1CC1C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is LGRQMIZRBVLSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-16-13(11-8-10(11)2)12-9-14(3,4)17-15(12,5)6/h10-13,16H,7-9H2,1-6H3.
What are the key properties of N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine?
N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 114623182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).