N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine

C17H33NO — CID 104649309

IUPACN-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
SMILESCOCCCCC1(CNCC(C)C)CC2CCC1C2
InChIInChI=1S/C17H33NO/c1-14(2)12-18-13-17(8-4-5-9-19-3)11-15-6-7-16(17)10-15/h14-16,18H,4-13H2,1-3H3
InChIKeyJFQTTXCFWXCLOJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.86
Rot. Bonds9

About N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine (PubChem CID 104649309) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
PubChem CID104649309
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
SMILESCOCCCCC1(CNCC(C)C)CC2CCC1C2
InChIInChI=1S/C17H33NO/c1-14(2)12-18-13-17(8-4-5-9-19-3)11-15-6-7-16(17)10-15/h14-16,18H,4-13H2,1-3H3
InChIKeyJFQTTXCFWXCLOJ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine (CID 104649309) is N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine is COCCCCC1(CNCC(C)C)CC2CCC1C2.
What is the InChIKey of N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JFQTTXCFWXCLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)12-18-13-17(8-4-5-9-19-3)11-15-6-7-16(17)10-15/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104649309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).