2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C17H33N — CID 63521306

IUPAC2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)CCC1(CNC(C)(C)C)CC2CCC1C2
InChIInChI=1S/C17H33N/c1-13(2)8-9-17(12-18-16(3,4)5)11-14-6-7-15(17)10-14/h13-15,18H,6-12H2,1-5H3
InChIKeyVFIQHCOWGVBINZ-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds5

About 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 63521306) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID63521306
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)CCC1(CNC(C)(C)C)CC2CCC1C2
InChIInChI=1S/C17H33N/c1-13(2)8-9-17(12-18-16(3,4)5)11-14-6-7-15(17)10-14/h13-15,18H,6-12H2,1-5H3
InChIKeyVFIQHCOWGVBINZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 63521306) is 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)CCC1(CNC(C)(C)C)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is VFIQHCOWGVBINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13(2)8-9-17(12-18-16(3,4)5)11-14-6-7-15(17)10-14/h13-15,18H,6-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 63521306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).