2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine

C17H34N2O — CID 66369812

IUPAC2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1CC2CCC(C1)O2
InChIInChI=1S/C17H34N2O/c1-5-8-17(4,12-18-9-14(2)3)13-19-10-15-6-7-16(11-19)20-15/h14-16,18H,5-13H2,1-4H3
InChIKeyWTPKYUVNMYXPQS-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds8

About 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine

2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine (PubChem CID 66369812) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
PubChem CID66369812
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1CC2CCC(C1)O2
InChIInChI=1S/C17H34N2O/c1-5-8-17(4,12-18-9-14(2)3)13-19-10-15-6-7-16(11-19)20-15/h14-16,18H,5-13H2,1-4H3
InChIKeyWTPKYUVNMYXPQS-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine (CID 66369812) is 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine is CCCC(C)(CNCC(C)C)CN1CC2CCC(C1)O2.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine?
The InChIKey is WTPKYUVNMYXPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-8-17(4,12-18-9-14(2)3)13-19-10-15-6-7-16(11-19)20-15/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine?
2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine is sourced from PubChem (CID 66369812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).