N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine

C18H27N — CID 65007206

IUPACN-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
SMILESCNCC1(c2ccccc2C)CC2(CCCCC2)C1
InChIInChI=1S/C18H27N/c1-15-8-4-5-9-16(15)18(14-19-2)12-17(13-18)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-14H2,1-2H3
InChIKeyGZLJYBZDPYJYEA-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.20
Rot. Bonds3

About N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine

N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine (PubChem CID 65007206) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
PubChem CID65007206
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
SMILESCNCC1(c2ccccc2C)CC2(CCCCC2)C1
InChIInChI=1S/C18H27N/c1-15-8-4-5-9-16(15)18(14-19-2)12-17(13-18)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-14H2,1-2H3
InChIKeyGZLJYBZDPYJYEA-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.20
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-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine (CID 65007206) is N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine is CNCC1(c2ccccc2C)CC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine?
The InChIKey is GZLJYBZDPYJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-15-8-4-5-9-16(15)18(14-19-2)12-17(13-18)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-14H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine?
N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 4.20, 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-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine is sourced from PubChem (CID 65007206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).