N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine

C17H25N — CID 70658565

IUPACN-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine
SMILESCNC(C)C1(c2ccccc2)CC12CCCCC2
InChIInChI=1S/C17H25N/c1-14(18-2)17(15-9-5-3-6-10-15)13-16(17)11-7-4-8-12-16/h3,5-6,9-10,14,18H,4,7-8,11-13H2,1-2H3
InChIKeyMPGJJHBQOYOWSL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.89
Rot. Bonds3

About N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine

N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine (PubChem CID 70658565) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine
PubChem CID70658565
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine
SMILESCNC(C)C1(c2ccccc2)CC12CCCCC2
InChIInChI=1S/C17H25N/c1-14(18-2)17(15-9-5-3-6-10-15)13-16(17)11-7-4-8-12-16/h3,5-6,9-10,14,18H,4,7-8,11-13H2,1-2H3
InChIKeyMPGJJHBQOYOWSL-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine (CID 70658565) is N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine is CNC(C)C1(c2ccccc2)CC12CCCCC2.
What is the InChIKey of N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine?
The InChIKey is MPGJJHBQOYOWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14(18-2)17(15-9-5-3-6-10-15)13-16(17)11-7-4-8-12-16/h3,5-6,9-10,14,18H,4,7-8,11-13H2,1-2H3.
What are the key properties of N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine?
N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine has a molecular weight of 243.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylspiro[2.5]octan-2-yl)ethanamine is sourced from PubChem (CID 70658565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).